smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCc2ccccc2)cc1Cl ZINC000017120888 210204753 /nfs/dbraw/zinc/20/47/53/210204753.db2.gz QIBDWTIBXUTERW-UHFFFAOYSA-N 1 2 377.879 4.822 50 0 GJAALO COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccc(Cl)cn32)c1 ZINC000015414390 210158035 /nfs/dbraw/zinc/15/80/35/210158035.db2.gz LQZPEEGUGITJMU-UHFFFAOYSA-N 1 2 393.830 4.891 50 0 GJAALO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012982818 210040058 /nfs/dbraw/zinc/04/00/58/210040058.db2.gz NKXJUDZYEZNPCI-HSZRJFAPSA-N 1 2 376.525 4.951 50 0 GJAALO Cc1cccc(C)c1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012982818 210040066 /nfs/dbraw/zinc/04/00/66/210040066.db2.gz NKXJUDZYEZNPCI-HSZRJFAPSA-N 1 2 376.525 4.951 50 0 GJAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000012875934 210022847 /nfs/dbraw/zinc/02/28/47/210022847.db2.gz RUKOQHOSZDZYOS-FDDCHVKYSA-N 1 2 389.499 4.664 50 0 GJAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000012875934 210022850 /nfs/dbraw/zinc/02/28/50/210022850.db2.gz RUKOQHOSZDZYOS-FDDCHVKYSA-N 1 2 389.499 4.664 50 0 GJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000012796236 210010711 /nfs/dbraw/zinc/01/07/11/210010711.db2.gz SJVYFGFPOHOFEG-LLVKDONJSA-N 1 2 384.332 4.934 50 0 GJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000012796236 210010717 /nfs/dbraw/zinc/01/07/17/210010717.db2.gz SJVYFGFPOHOFEG-LLVKDONJSA-N 1 2 384.332 4.934 50 0 GJAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000027350520 209192938 /nfs/dbraw/zinc/19/29/38/209192938.db2.gz UDWLHEXWQQMQSR-VQIMIIECSA-N 1 2 392.421 4.649 50 0 GJAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000027350520 209192943 /nfs/dbraw/zinc/19/29/43/209192943.db2.gz UDWLHEXWQQMQSR-VQIMIIECSA-N 1 2 392.421 4.649 50 0 GJAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2)c1 ZINC000299797425 212038306 /nfs/dbraw/zinc/03/83/06/212038306.db2.gz NSEWAGYLGRPNLT-KRWDZBQOSA-N 1 2 388.467 4.628 50 0 GJAALO Cc1cccc(OCC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000003648817 204016609 /nfs/dbraw/zinc/01/66/09/204016609.db2.gz CDJLMUGXGHLSFC-UHFFFAOYSA-N 1 2 389.499 4.859 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)Cc3ccc(OC)cc3)ccc2[nH+]1 ZINC000004757341 204073970 /nfs/dbraw/zinc/07/39/70/204073970.db2.gz VBHJSNKVNQYZKE-UHFFFAOYSA-N 1 2 377.488 4.579 50 0 GJAALO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1Cl ZINC000004554086 204051781 /nfs/dbraw/zinc/05/17/81/204051781.db2.gz IXRZQNHAEAWOAT-QGZVFWFLSA-N 1 2 391.924 4.606 50 0 GJAALO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1Cl ZINC000004554086 204051786 /nfs/dbraw/zinc/05/17/86/204051786.db2.gz IXRZQNHAEAWOAT-QGZVFWFLSA-N 1 2 391.924 4.606 50 0 GJAALO S=c1oc(COc2ccccc2)nn1C[NH+]1CCC(c2ccccc2)CC1 ZINC000004547903 204052559 /nfs/dbraw/zinc/05/25/59/204052559.db2.gz DHUVDLIEYRDSJO-UHFFFAOYSA-N 1 2 381.501 4.622 50 0 GJAALO Cc1ccc(OCC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000006725050 204196149 /nfs/dbraw/zinc/19/61/49/204196149.db2.gz MVFWTHITLANSCS-UHFFFAOYSA-N 1 2 389.499 4.859 50 0 GJAALO COc1ccccc1Nc1nnc(SCc2cn3cccc(C)c3[nH+]2)s1 ZINC000008012249 204259221 /nfs/dbraw/zinc/25/92/21/204259221.db2.gz MMRRYGQHACEEFM-UHFFFAOYSA-N 1 2 383.502 4.539 50 0 GJAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n(CCC(=O)NCC(C)C)c2cc1C ZINC000037397006 205025386 /nfs/dbraw/zinc/02/53/86/205025386.db2.gz PMFHBVUIVWJSKA-UHFFFAOYSA-N 1 2 381.495 4.545 50 0 GJAALO CCOc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000058096087 205163912 /nfs/dbraw/zinc/16/39/12/205163912.db2.gz INOFSNPISRWTHZ-UHFFFAOYSA-N 1 2 389.952 4.601 50 0 GJAALO CCOc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000058096087 205163919 /nfs/dbraw/zinc/16/39/19/205163919.db2.gz INOFSNPISRWTHZ-UHFFFAOYSA-N 1 2 389.952 4.601 50 0 GJAALO O=C1C[C@H](c2ccccc2)N1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000060112574 205180106 /nfs/dbraw/zinc/18/01/06/205180106.db2.gz DERKASQXJSESQJ-LJQANCHMSA-N 1 2 375.299 4.889 50 0 GJAALO O=C1C[C@H](c2ccccc2)N1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000060112574 205180109 /nfs/dbraw/zinc/18/01/09/205180109.db2.gz DERKASQXJSESQJ-LJQANCHMSA-N 1 2 375.299 4.889 50 0 GJAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3C)CC2)nc[nH+]1 ZINC000065274219 205226562 /nfs/dbraw/zinc/22/65/62/205226562.db2.gz MTTSMBRGPZKHEL-UHFFFAOYSA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3C)CC2)[nH+]cn1 ZINC000065274219 205226569 /nfs/dbraw/zinc/22/65/69/205226569.db2.gz MTTSMBRGPZKHEL-UHFFFAOYSA-N 1 2 395.551 4.551 50 0 GJAALO CS[C@@H](C)Cc1c(-c2ccccc2)[nH+]cn1Cc1noc(C2CCCC2)n1 ZINC000065432986 205234314 /nfs/dbraw/zinc/23/43/14/205234314.db2.gz WFNGZVAFNHCZMB-HNNXBMFYSA-N 1 2 382.533 4.933 50 0 GJAALO Cc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288450 205244713 /nfs/dbraw/zinc/24/47/13/205244713.db2.gz UELGKORFXXRWIE-UHFFFAOYSA-N 1 2 377.463 4.921 50 0 GJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](Cc1ccccc1F)C2 ZINC000067946423 205268966 /nfs/dbraw/zinc/26/89/66/205268966.db2.gz NVEQGLIEKLIIOL-UHFFFAOYSA-N 1 2 384.838 4.641 50 0 GJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](Cc1ccccc1F)C2 ZINC000067946423 205268970 /nfs/dbraw/zinc/26/89/70/205268970.db2.gz NVEQGLIEKLIIOL-UHFFFAOYSA-N 1 2 384.838 4.641 50 0 GJAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000072314372 205325104 /nfs/dbraw/zinc/32/51/04/205325104.db2.gz MQAIYBAUATXABZ-FQEVSTJZSA-N 1 2 396.922 4.794 50 0 GJAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000072314372 205325107 /nfs/dbraw/zinc/32/51/07/205325107.db2.gz MQAIYBAUATXABZ-FQEVSTJZSA-N 1 2 396.922 4.794 50 0 GJAALO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000059765896 206103147 /nfs/dbraw/zinc/10/31/47/206103147.db2.gz FVAPZIJIBMZGAG-TWGQIWQCSA-N 1 2 385.964 4.676 50 0 GJAALO CC(C)c1ccc([C@H](C)NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000032802308 206093352 /nfs/dbraw/zinc/09/33/52/206093352.db2.gz QSYSMCNLZMFMDO-LAUBAEHRSA-N 1 2 376.504 4.693 50 0 GJAALO COC(=O)[C@@H](C)Oc1ccc(-c2[nH+]cc3c(Cl)cc(C(F)(F)F)cn32)cc1 ZINC000261495048 206184620 /nfs/dbraw/zinc/18/46/20/206184620.db2.gz XLFBAKSRRSJFMT-SNVBAGLBSA-N 1 2 398.768 4.614 50 0 GJAALO Nc1[nH+]c(-c2ccccc2)c2cc3c(nn12)C[C@H](c1cccc(Cl)c1)CC3=O ZINC000169681372 211639935 /nfs/dbraw/zinc/63/99/35/211639935.db2.gz OTEIHVQLIWDEMC-HNNXBMFYSA-N 1 2 388.858 4.545 50 0 GJAALO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000089947965 211188756 /nfs/dbraw/zinc/18/87/56/211188756.db2.gz ATWXFXVXWCVFSE-GFCCVEGCSA-N 1 2 393.310 4.539 50 0 GJAALO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000089947965 211188758 /nfs/dbraw/zinc/18/87/58/211188758.db2.gz ATWXFXVXWCVFSE-GFCCVEGCSA-N 1 2 393.310 4.539 50 0 GJAALO O=c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000084564652 211170164 /nfs/dbraw/zinc/17/01/64/211170164.db2.gz FWPVTANMKLIMDJ-UHFFFAOYSA-N 1 2 399.519 4.941 50 0 GJAALO O=c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000084564652 211170170 /nfs/dbraw/zinc/17/01/70/211170170.db2.gz FWPVTANMKLIMDJ-UHFFFAOYSA-N 1 2 399.519 4.941 50 0 GJAALO COc1cccc(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)c1 ZINC000033330866 210645390 /nfs/dbraw/zinc/64/53/90/210645390.db2.gz HJQBMCBURJAADE-UHFFFAOYSA-N 1 2 396.450 4.603 50 0 GJAALO Cc1ccc(CNC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)cc1 ZINC000021357701 210382528 /nfs/dbraw/zinc/38/25/28/210382528.db2.gz FLANLCRXPDQMJT-UHFFFAOYSA-N 1 2 398.510 4.989 50 0 GJAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005308 210374083 /nfs/dbraw/zinc/37/40/83/210374083.db2.gz FZRHZKLHUVDMSS-UHFFFAOYSA-N 1 2 380.875 4.558 50 0 GJAALO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)Cc1ccc(Br)s1 ZINC000020814833 210363474 /nfs/dbraw/zinc/36/34/74/210363474.db2.gz RFWMYYOAKMOZOC-UHFFFAOYSA-N 1 2 395.366 4.842 50 0 GJAALO CCc1cccc(C)c1NC(=O)C[N@H+](CC)Cc1ccc(Br)s1 ZINC000020814833 210363477 /nfs/dbraw/zinc/36/34/77/210363477.db2.gz RFWMYYOAKMOZOC-UHFFFAOYSA-N 1 2 395.366 4.842 50 0 GJAALO [NH2+]=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1CCc1ccccc1 ZINC000020512369 210344509 /nfs/dbraw/zinc/34/45/09/210344509.db2.gz LQMGCKVXDDVZON-UHFFFAOYSA-N 1 2 389.474 4.773 50 0 GJAALO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 ZINC000020212068 210320759 /nfs/dbraw/zinc/32/07/59/210320759.db2.gz LEWIVBCGOMJWPB-CYBMUJFWSA-N 1 2 398.359 4.611 50 0 GJAALO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 ZINC000020212068 210320756 /nfs/dbraw/zinc/32/07/56/210320756.db2.gz LEWIVBCGOMJWPB-CYBMUJFWSA-N 1 2 398.359 4.611 50 0 GJAALO [NH2+]=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000020123735 210317561 /nfs/dbraw/zinc/31/75/61/210317561.db2.gz FUFWJPHDFNIKTA-UHFFFAOYSA-N 1 2 377.875 4.703 50 0 GJAALO c1ccc(SCc2[nH]nc3c2C[N@H+](Cc2ccc4ccccc4n2)CC3)cc1 ZINC000019790039 210296753 /nfs/dbraw/zinc/29/67/53/210296753.db2.gz YEVSFDLXOUSPDR-UHFFFAOYSA-N 1 2 386.524 4.809 50 0 GJAALO c1ccc(SCc2[nH]nc3c2C[N@@H+](Cc2ccc4ccccc4n2)CC3)cc1 ZINC000019790039 210296754 /nfs/dbraw/zinc/29/67/54/210296754.db2.gz YEVSFDLXOUSPDR-UHFFFAOYSA-N 1 2 386.524 4.809 50 0 GJAALO Cc1ccccc1[C@@H](CC(=O)N(Cc1[nH+]ccn1C)C(C)C)c1ccccc1 ZINC000011820006 221129260 /nfs/dbraw/zinc/12/92/60/221129260.db2.gz WCXWEUWKEBRLDV-QFIPXVFZSA-N 1 2 375.516 4.688 50 0 GJAALO COc1ccccc1N1CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000058159096 136154490 /nfs/dbraw/zinc/15/44/90/136154490.db2.gz IJDMIWWOODZXDJ-UHFFFAOYSA-N 1 2 394.544 4.526 50 0 GJAALO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092935 222205371 /nfs/dbraw/zinc/20/53/71/222205371.db2.gz AMOOTJWXORQICT-SFHVURJKSA-N 1 2 397.277 4.535 50 0 GJAALO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092935 222205374 /nfs/dbraw/zinc/20/53/74/222205374.db2.gz AMOOTJWXORQICT-SFHVURJKSA-N 1 2 397.277 4.535 50 0 GJAALO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000011502995 525339902 /nfs/dbraw/zinc/33/99/02/525339902.db2.gz OWZMHOVTYYKDAE-ICPLQIHGSA-N 1 2 394.540 4.802 50 0 GJAALO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000011502995 525339916 /nfs/dbraw/zinc/33/99/16/525339916.db2.gz OWZMHOVTYYKDAE-ICPLQIHGSA-N 1 2 394.540 4.802 50 0 GJAALO Cc1cccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023309965 570236974 /nfs/dbraw/zinc/23/69/74/570236974.db2.gz ISAKFDKEBKHDKZ-DEOSSOPVSA-N 1 2 388.486 4.682 50 0 GJAALO Cn1c(=S)n(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)nc1-c1ccco1 ZINC000048365304 570245626 /nfs/dbraw/zinc/24/56/26/570245626.db2.gz XFENRRSBNUOKLL-UHFFFAOYSA-N 1 2 390.512 4.986 50 0 GJAALO Cn1c(=S)n(C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)nc1-c1ccco1 ZINC000048365304 570245630 /nfs/dbraw/zinc/24/56/30/570245630.db2.gz XFENRRSBNUOKLL-UHFFFAOYSA-N 1 2 390.512 4.986 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000023873968 570333735 /nfs/dbraw/zinc/33/37/35/570333735.db2.gz LGWBXLLVLHFYRO-QGZVFWFLSA-N 1 2 387.430 4.786 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000023873968 570333739 /nfs/dbraw/zinc/33/37/39/570333739.db2.gz LGWBXLLVLHFYRO-QGZVFWFLSA-N 1 2 387.430 4.786 50 0 GJAALO CC(C)CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C2CCCCC2)CC1 ZINC000034906580 570338979 /nfs/dbraw/zinc/33/89/79/570338979.db2.gz YPLUSWHSLRHBHE-UHFFFAOYSA-N 1 2 396.579 4.920 50 0 GJAALO COc1ccc(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)cc1 ZINC000033330864 570406714 /nfs/dbraw/zinc/40/67/14/570406714.db2.gz NLRPDMDLPFLLFU-UHFFFAOYSA-N 1 2 396.450 4.603 50 0 GJAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)[nH]c2scc(-c3ccco3)c21 ZINC000025444606 570413880 /nfs/dbraw/zinc/41/38/80/570413880.db2.gz POHZTDSZYSXKAK-MRXNPFEDSA-N 1 2 395.459 4.721 50 0 GJAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)[nH]c2scc(-c3ccco3)c21 ZINC000025444606 570413883 /nfs/dbraw/zinc/41/38/83/570413883.db2.gz POHZTDSZYSXKAK-MRXNPFEDSA-N 1 2 395.459 4.721 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@@H+](C)C[C@@H]2[C@H]1c1ccccc1Cl ZINC000252452426 570442318 /nfs/dbraw/zinc/44/23/18/570442318.db2.gz HXYNGQNRDBZUMF-DQKPQGHDSA-N 1 2 386.326 4.981 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@H+](C)C[C@@H]2[C@H]1c1ccccc1Cl ZINC000252452426 570442320 /nfs/dbraw/zinc/44/23/20/570442320.db2.gz HXYNGQNRDBZUMF-DQKPQGHDSA-N 1 2 386.326 4.981 50 0 GJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690030 570494482 /nfs/dbraw/zinc/49/44/82/570494482.db2.gz KBAIUAJMRMHVQW-WBMJQRKESA-N 1 2 390.940 4.534 50 0 GJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690030 570494488 /nfs/dbraw/zinc/49/44/88/570494488.db2.gz KBAIUAJMRMHVQW-WBMJQRKESA-N 1 2 390.940 4.534 50 0 GJAALO CC(C)[N@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036082971 570529486 /nfs/dbraw/zinc/52/94/86/570529486.db2.gz VVBIIRHYWIGRQD-QGZVFWFLSA-N 1 2 395.478 4.715 50 0 GJAALO CC(C)[N@@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036082971 570529492 /nfs/dbraw/zinc/52/94/92/570529492.db2.gz VVBIIRHYWIGRQD-QGZVFWFLSA-N 1 2 395.478 4.715 50 0 GJAALO Cn1c(CCc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000032960852 570531508 /nfs/dbraw/zinc/53/15/08/570531508.db2.gz UHZSJTGWCHMZJL-UHFFFAOYSA-N 1 2 383.495 4.930 50 0 GJAALO CC(C)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000006689985 570533113 /nfs/dbraw/zinc/53/31/13/570533113.db2.gz CBWVBXGHHXZTFT-UHFFFAOYSA-N 1 2 385.870 4.775 50 0 GJAALO Cn1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2[nH+]c1CCc1ccccc1 ZINC000033020512 570646038 /nfs/dbraw/zinc/64/60/38/570646038.db2.gz TVBMLOBAKUPKCF-UHFFFAOYSA-N 1 2 387.458 4.679 50 0 GJAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000033020544 570646112 /nfs/dbraw/zinc/64/61/12/570646112.db2.gz XOOALHBJCGWFPE-UHFFFAOYSA-N 1 2 383.495 4.930 50 0 GJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000012796239 570716161 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C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007906669 204254104 /nfs/dbraw/zinc/25/41/04/204254104.db2.gz BQWVCIDLJXYXBS-INIZCTEOSA-N 1 2 394.544 4.528 50 0 GJAALO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(Br)cc1 ZINC000007915174 204255069 /nfs/dbraw/zinc/25/50/69/204255069.db2.gz VMXZMVOGYULDCH-UHFFFAOYSA-N 1 2 392.684 4.785 50 0 GJAALO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(Br)cc1 ZINC000007915174 204255072 /nfs/dbraw/zinc/25/50/72/204255072.db2.gz VMXZMVOGYULDCH-UHFFFAOYSA-N 1 2 392.684 4.785 50 0 GJAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 ZINC000035597056 204268280 /nfs/dbraw/zinc/26/82/80/204268280.db2.gz VNXSMLJEQZSLEA-UHFFFAOYSA-N 1 2 379.847 4.569 50 0 GJAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2)n1 ZINC000009573284 204315743 /nfs/dbraw/zinc/31/57/43/204315743.db2.gz PUJRYDBEORYURU-UHFFFAOYSA-N 1 2 391.475 4.611 50 0 GJAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)CCc3ccccc3)cc2)n1 ZINC000009573305 204316069 /nfs/dbraw/zinc/31/60/69/204316069.db2.gz 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/nfs/dbraw/zinc/12/33/41/211123341.db2.gz RMQUITJEVDIGQW-UHFFFAOYSA-N 1 2 382.895 4.852 50 0 GJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000072468938 211123344 /nfs/dbraw/zinc/12/33/44/211123344.db2.gz RMQUITJEVDIGQW-UHFFFAOYSA-N 1 2 382.895 4.852 50 0 GJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCc2n[nH]c(C3CCC3)c2C1 ZINC000072468938 211123347 /nfs/dbraw/zinc/12/33/47/211123347.db2.gz RMQUITJEVDIGQW-UHFFFAOYSA-N 1 2 382.895 4.852 50 0 GJAALO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000072314373 211089190 /nfs/dbraw/zinc/08/91/90/211089190.db2.gz MQAIYBAUATXABZ-HXUWFJFHSA-N 1 2 396.922 4.794 50 0 GJAALO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000072314373 211089194 /nfs/dbraw/zinc/08/91/94/211089194.db2.gz MQAIYBAUATXABZ-HXUWFJFHSA-N 1 2 396.922 4.794 50 0 GJAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccccc1Br ZINC000090607227 211036591 /nfs/dbraw/zinc/03/65/91/211036591.db2.gz ULLQVJCDRKVTKI-UHFFFAOYSA-N 1 2 382.261 4.511 50 0 GJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1[C@H](CO)Cc1ccc(Cl)cc1 ZINC000067895836 211028482 /nfs/dbraw/zinc/02/84/82/211028482.db2.gz MTTJIQWMCJNZDI-IBGZPJMESA-N 1 2 392.890 4.678 50 0 GJAALO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000058136312 210907412 /nfs/dbraw/zinc/90/74/12/210907412.db2.gz XYGWFNRXXXKBBG-UHFFFAOYSA-N 1 2 395.422 4.775 50 0 GJAALO Cc1ccc(-c2ccsc2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000048311414 210851555 /nfs/dbraw/zinc/85/15/55/210851555.db2.gz BVBSJCXPIVVUIS-UHFFFAOYSA-N 1 2 387.508 4.898 50 0 GJAALO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)c1ccc(Cl)cc1 ZINC000020840240 210362931 /nfs/dbraw/zinc/36/29/31/210362931.db2.gz PGOVVWIRBBVHPO-UHFFFAOYSA-N 1 2 375.859 4.507 50 0 GJAALO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)c1ccc(Cl)cc1 ZINC000020840240 210362935 /nfs/dbraw/zinc/36/29/35/210362935.db2.gz PGOVVWIRBBVHPO-UHFFFAOYSA-N 1 2 375.859 4.507 50 0 GJAALO Cc1ccc2c(Cl)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000020407788 210330681 /nfs/dbraw/zinc/33/06/81/210330681.db2.gz FXTUMINHRCEEOK-UHFFFAOYSA-N 1 2 384.932 4.821 50 0 GJAALO Clc1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCOCC2)cc1 ZINC000020058833 210314367 /nfs/dbraw/zinc/31/43/67/210314367.db2.gz WCMBTIIQJZHWOS-UHFFFAOYSA-N 1 2 377.875 4.640 50 0 GJAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc1C ZINC000011933516 221137807 /nfs/dbraw/zinc/13/78/07/221137807.db2.gz QQOCDHUQMCACCP-SFHVURJKSA-N 1 2 385.529 4.671 50 0 GJAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc1C ZINC000011933516 221137811 /nfs/dbraw/zinc/13/78/11/221137811.db2.gz QQOCDHUQMCACCP-SFHVURJKSA-N 1 2 385.529 4.671 50 0 GJAALO COc1ccc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccccc3)cs2)cc1 ZINC000032508786 570217911 /nfs/dbraw/zinc/21/79/11/570217911.db2.gz ZAGCBGMRFAZLGZ-UHFFFAOYSA-N 1 2 390.468 4.565 50 0 GJAALO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)[nH+]c1C ZINC000048302485 570234821 /nfs/dbraw/zinc/23/48/21/570234821.db2.gz CWUIOBWGFYCOKF-OAQYLSRUSA-N 1 2 391.471 4.504 50 0 GJAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1CCc1ccccc1 ZINC000020038703 570236671 /nfs/dbraw/zinc/23/66/71/570236671.db2.gz FINOSXDVSOQWTC-UHFFFAOYSA-N 1 2 381.479 4.588 50 0 GJAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023309968 570237042 /nfs/dbraw/zinc/23/70/42/570237042.db2.gz ISAKFDKEBKHDKZ-XMMPIXPASA-N 1 2 388.486 4.682 50 0 GJAALO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1sccc1Br ZINC000048333620 570237600 /nfs/dbraw/zinc/23/76/00/570237600.db2.gz JWPLPAZUMALJLR-UHFFFAOYSA-N 1 2 381.339 4.670 50 0 GJAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1sccc1Br ZINC000048333620 570237604 /nfs/dbraw/zinc/23/76/04/570237604.db2.gz JWPLPAZUMALJLR-UHFFFAOYSA-N 1 2 381.339 4.670 50 0 GJAALO CC(C)c1cccc(NC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)c1 ZINC000097675302 570248892 /nfs/dbraw/zinc/24/88/92/570248892.db2.gz HIRLQQXKSJCXRK-UHFFFAOYSA-N 1 2 377.492 4.526 50 0 GJAALO O=C(NC1CCCC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022629500 570267968 /nfs/dbraw/zinc/26/79/68/570267968.db2.gz UFMCCXBCCVGNNZ-JOCHJYFZSA-N 1 2 397.950 4.699 50 0 GJAALO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000015863895 570279838 /nfs/dbraw/zinc/27/98/38/570279838.db2.gz QXOHRYORLSBGOG-QGZVFWFLSA-N 1 2 385.467 4.754 50 0 GJAALO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012920689 570294450 /nfs/dbraw/zinc/29/44/50/570294450.db2.gz XOJXLYPYSMZHIR-XMMPIXPASA-N 1 2 398.506 4.961 50 0 GJAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2c(s1)CCCCC2 ZINC000022289603 570312410 /nfs/dbraw/zinc/31/24/10/570312410.db2.gz KYJBDOZKRGIOKV-UHFFFAOYSA-N 1 2 375.563 4.712 50 0 GJAALO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000034906592 570339110 /nfs/dbraw/zinc/33/91/10/570339110.db2.gz XGFUQHTWIFSMHV-UHFFFAOYSA-N 1 2 376.504 4.610 50 0 GJAALO Cc1ccc2[nH+]cn(C3CCN(C(=O)[C@H](c4ccccc4)C(C)C)CC3)c2c1 ZINC000034915429 570344301 /nfs/dbraw/zinc/34/43/01/570344301.db2.gz KQVUPRSDDRMGQM-QHCPKHFHSA-N 1 2 375.516 4.948 50 0 GJAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)c1c(C)[nH]c3cc(C)ccc31)CC2 ZINC000035361867 570344474 /nfs/dbraw/zinc/34/44/74/570344474.db2.gz DULSPCXSOQRNAF-INIZCTEOSA-N 1 2 392.499 4.604 50 0 biogenic GJAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)c1c(C)[nH]c3cc(C)ccc31)CC2 ZINC000035361867 570344478 /nfs/dbraw/zinc/34/44/78/570344478.db2.gz DULSPCXSOQRNAF-INIZCTEOSA-N 1 2 392.499 4.604 50 0 biogenic GJAALO Cc1occc1-c1nn(C[NH+]2CCC(C)CC2)c(=S)n1Cc1ccccc1 ZINC000024253897 570381592 /nfs/dbraw/zinc/38/15/92/570381592.db2.gz AGZDYTRTMAZBMV-UHFFFAOYSA-N 1 2 382.533 4.720 50 0 GJAALO COc1ccc([C@@H]([NH2+]Cc2nc(-c3cccs3)no2)c2ccccc2)cc1 ZINC000024923703 570398371 /nfs/dbraw/zinc/39/83/71/570398371.db2.gz VZULHOAHLVNLNS-FQEVSTJZSA-N 1 2 377.469 4.686 50 0 GJAALO CN(C)c1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000033019643 570399106 /nfs/dbraw/zinc/39/91/06/570399106.db2.gz BJMBZEZQVFLFFN-UHFFFAOYSA-N 1 2 398.510 4.677 50 0 GJAALO COc1ccc(OC)c(Nc2c(-c3ccccc3O)[nH+]c3ccc(C)cn32)c1 ZINC000035622389 570404221 /nfs/dbraw/zinc/40/42/21/570404221.db2.gz MYODUFDENYHNCO-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO Cc1sc2nc(C[N@H+](C)Cc3ccc(Cl)c(Cl)c3)nc(N)c2c1C ZINC000025053971 570404489 /nfs/dbraw/zinc/40/44/89/570404489.db2.gz RTTYEOBHMNTZBZ-UHFFFAOYSA-N 1 2 381.332 4.829 50 0 GJAALO Cc1sc2nc(C[N@@H+](C)Cc3ccc(Cl)c(Cl)c3)nc(N)c2c1C ZINC000025053971 570404492 /nfs/dbraw/zinc/40/44/92/570404492.db2.gz RTTYEOBHMNTZBZ-UHFFFAOYSA-N 1 2 381.332 4.829 50 0 GJAALO COc1cccc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccccc3)cs2)c1 ZINC000035682941 570413756 /nfs/dbraw/zinc/41/37/56/570413756.db2.gz MBTPOEGZSGQITQ-UHFFFAOYSA-N 1 2 390.468 4.565 50 0 GJAALO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c(C)c1 ZINC000032953878 570433923 /nfs/dbraw/zinc/43/39/23/570433923.db2.gz LZSUUAZDNQVHGS-UHFFFAOYSA-N 1 2 390.487 4.641 50 0 GJAALO C[N@@H+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030312 570485855 /nfs/dbraw/zinc/48/58/55/570485855.db2.gz OSDKATJAKWGLEM-LJQANCHMSA-N 1 2 397.931 4.592 50 0 GJAALO C[N@H+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030312 570485857 /nfs/dbraw/zinc/48/58/57/570485857.db2.gz OSDKATJAKWGLEM-LJQANCHMSA-N 1 2 397.931 4.592 50 0 GJAALO COc1cccc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)c1 ZINC000032960911 570532142 /nfs/dbraw/zinc/53/21/42/570532142.db2.gz SSRUSEYJJGVDCD-UHFFFAOYSA-N 1 2 385.467 4.917 50 0 GJAALO COc1cccc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)c1 ZINC000032960911 570532147 /nfs/dbraw/zinc/53/21/47/570532147.db2.gz SSRUSEYJJGVDCD-UHFFFAOYSA-N 1 2 385.467 4.917 50 0 GJAALO CC(C)CN(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)C1CC1 ZINC000006689740 570533191 /nfs/dbraw/zinc/53/31/91/570533191.db2.gz VCBHBRSVDFXUIN-UHFFFAOYSA-N 1 2 380.319 4.633 50 0 GJAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(C(=O)c2ccccc2F)C2CC2)c(C)c1 ZINC000006689700 570533249 /nfs/dbraw/zinc/53/32/49/570533249.db2.gz BEPDSWWZBRVMGP-UHFFFAOYSA-N 1 2 391.490 4.801 50 0 GJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000034858987 570545356 /nfs/dbraw/zinc/54/53/56/570545356.db2.gz KILPSXUISLGTKP-XMMPIXPASA-N 1 2 386.495 4.742 50 0 GJAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000034858987 570545357 /nfs/dbraw/zinc/54/53/57/570545357.db2.gz KILPSXUISLGTKP-XMMPIXPASA-N 1 2 386.495 4.742 50 0 GJAALO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)c(O)c1 ZINC000035615941 570555900 /nfs/dbraw/zinc/55/59/00/570555900.db2.gz LLMGBEKEOYGEIO-UHFFFAOYSA-N 1 2 395.802 4.538 50 0 GJAALO Cc1oc2ccc(NC(=O)N(C)C3CCN(c4cccc[nH+]4)CC3)cc2c1C ZINC000225407761 570570809 /nfs/dbraw/zinc/57/08/09/570570809.db2.gz KSKVYWIIZDBYKY-UHFFFAOYSA-N 1 2 378.476 4.577 50 0 GJAALO CCc1nnc2c(Nc3ccc([NH+]4CCC(C)CC4)cc3)nc3ccccc3n12 ZINC000006793805 570598140 /nfs/dbraw/zinc/59/81/40/570598140.db2.gz NQZVJOFINTXLFN-UHFFFAOYSA-N 1 2 386.503 4.820 50 0 GJAALO COc1ccccc1[C@@H]1c2cccn2CCC[N@H+]1Cc1cccc(OC)c1OC ZINC000036347718 570630291 /nfs/dbraw/zinc/63/02/91/570630291.db2.gz HGXTUUZZCJVOGO-HSZRJFAPSA-N 1 2 392.499 4.509 50 0 GJAALO COc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000036347718 570630293 /nfs/dbraw/zinc/63/02/93/570630293.db2.gz HGXTUUZZCJVOGO-HSZRJFAPSA-N 1 2 392.499 4.509 50 0 GJAALO CC(C)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]n1 ZINC000012433605 570661010 /nfs/dbraw/zinc/66/10/10/570661010.db2.gz AJNDVDDHLSLTTB-OAHLLOKOSA-N 1 2 379.426 4.647 50 0 GJAALO CC(C)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]n1 ZINC000012433605 570661014 /nfs/dbraw/zinc/66/10/14/570661014.db2.gz AJNDVDDHLSLTTB-OAHLLOKOSA-N 1 2 379.426 4.647 50 0 GJAALO CC(C)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012434086 570661180 /nfs/dbraw/zinc/66/11/80/570661180.db2.gz VUXPHQNOIHNVPE-OAHLLOKOSA-N 1 2 379.426 4.647 50 0 GJAALO CC(C)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012434086 570661185 /nfs/dbraw/zinc/66/11/85/570661185.db2.gz VUXPHQNOIHNVPE-OAHLLOKOSA-N 1 2 379.426 4.647 50 0 GJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 ZINC000012789918 570713745 /nfs/dbraw/zinc/71/37/45/570713745.db2.gz SADKVNBGMWLUOE-CQSZACIVSA-N 1 2 398.557 4.751 50 0 GJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 ZINC000012789918 570713747 /nfs/dbraw/zinc/71/37/47/570713747.db2.gz SADKVNBGMWLUOE-CQSZACIVSA-N 1 2 398.557 4.751 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012982264 570736302 /nfs/dbraw/zinc/73/63/02/570736302.db2.gz APZMSAITUVCDQM-QHCPKHFHSA-N 1 2 392.524 4.651 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012982264 570736305 /nfs/dbraw/zinc/73/63/05/570736305.db2.gz APZMSAITUVCDQM-QHCPKHFHSA-N 1 2 392.524 4.651 50 0 GJAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206876496 570754181 /nfs/dbraw/zinc/75/41/81/570754181.db2.gz UZDZWXBFHDYGQC-OAQYLSRUSA-N 1 2 393.918 4.995 50 0 GJAALO CCCc1[nH+]c2ccccc2n1CC(=O)N(COC)c1c(CC)cccc1CC ZINC000013648469 570766748 /nfs/dbraw/zinc/76/67/48/570766748.db2.gz YOTPQNDALKPHRN-UHFFFAOYSA-N 1 2 393.531 4.751 50 0 GJAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cc(C)ccc3C)CC2)nc[nH+]1 ZINC000065274076 570776229 /nfs/dbraw/zinc/77/62/29/570776229.db2.gz RYCRZEGZCTTZGV-UHFFFAOYSA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cc(C)ccc3C)CC2)[nH+]cn1 ZINC000065274076 570776233 /nfs/dbraw/zinc/77/62/33/570776233.db2.gz RYCRZEGZCTTZGV-UHFFFAOYSA-N 1 2 395.551 4.551 50 0 GJAALO CC(C)c1sc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)nc1-c1ccccc1 ZINC000032742257 570787574 /nfs/dbraw/zinc/78/75/74/570787574.db2.gz CKUKVCJNNGNOKS-UHFFFAOYSA-N 1 2 389.484 4.767 50 0 GJAALO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1CCc1ccccc1 ZINC000007128351 570799768 /nfs/dbraw/zinc/79/97/68/570799768.db2.gz HTEWLNBPKHHLNN-XMMPIXPASA-N 1 2 394.478 4.682 50 0 GJAALO Cc1nc2ccccc2n1C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000005689544 570810871 /nfs/dbraw/zinc/81/08/71/570810871.db2.gz KQJKBBSLPJYJGJ-BWKNWUBXSA-N 1 2 386.495 4.820 50 0 GJAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000005689544 570810875 /nfs/dbraw/zinc/81/08/75/570810875.db2.gz KQJKBBSLPJYJGJ-BWKNWUBXSA-N 1 2 386.495 4.820 50 0 GJAALO Cc1cc2sc(N(CCCn3cc[nH+]c3)C(=O)c3cccs3)nc2c(C)c1 ZINC000007424750 570841640 /nfs/dbraw/zinc/84/16/40/570841640.db2.gz IQBXMDCMCLTTHR-UHFFFAOYSA-N 1 2 396.541 4.908 50 0 GJAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cn1c2ccccc2sc1=S ZINC000012544205 570844409 /nfs/dbraw/zinc/84/44/09/570844409.db2.gz RVXGGLWHZUGYHH-UHFFFAOYSA-N 1 2 380.542 4.767 50 0 GJAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cn1c2ccccc2sc1=S ZINC000012544205 570844412 /nfs/dbraw/zinc/84/44/12/570844412.db2.gz RVXGGLWHZUGYHH-UHFFFAOYSA-N 1 2 380.542 4.767 50 0 GJAALO C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012548086 570849797 /nfs/dbraw/zinc/84/97/97/570849797.db2.gz CZFONVDTAFIPCU-IBGZPJMESA-N 1 2 397.478 4.796 50 0 GJAALO Cc1ccccc1Nc1nc(N)nc(C[NH2+][C@H](C)c2cccc3ccccc32)n1 ZINC000012552766 570856734 /nfs/dbraw/zinc/85/67/34/570856734.db2.gz FFHFFAMXLHKBFU-MRXNPFEDSA-N 1 2 384.487 4.510 50 0 GJAALO 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COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000010226116 204332104 /nfs/dbraw/zinc/33/21/04/204332104.db2.gz YZVWJCWZUUXIOL-SFHVURJKSA-N 1 2 379.287 4.778 50 0 GJAALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000010226116 204332108 /nfs/dbraw/zinc/33/21/08/204332108.db2.gz YZVWJCWZUUXIOL-SFHVURJKSA-N 1 2 379.287 4.778 50 0 GJAALO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000011764249 204352004 /nfs/dbraw/zinc/35/20/04/204352004.db2.gz LGYNLPQPJKMLHI-UHFFFAOYSA-N 1 2 377.513 4.571 50 0 GJAALO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000011764249 204352007 /nfs/dbraw/zinc/35/20/07/204352007.db2.gz LGYNLPQPJKMLHI-UHFFFAOYSA-N 1 2 377.513 4.571 50 0 GJAALO Cc1cccc(C(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)c1 ZINC000017122717 204608190 /nfs/dbraw/zinc/60/81/90/204608190.db2.gz LVQDNVRGBNAFSR-UHFFFAOYSA-N 1 2 387.487 4.690 50 0 GJAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1Nc1ccccc1 ZINC000048253727 205115832 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CCc1[nH+]c2cc(NC(=O)N3CCCC[C@@H]3c3cc(C)on3)ccc2n1CC ZINC000097098959 211356316 /nfs/dbraw/zinc/35/63/16/211356316.db2.gz NDBVPZJVNYAUGX-GOSISDBHSA-N 1 2 381.480 4.674 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000096129847 211304036 /nfs/dbraw/zinc/30/40/36/211304036.db2.gz CNGYVULDENODEZ-VPAPRSNLSA-N 1 2 391.490 4.776 50 0 GJAALO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(Oc2cccnc2F)n1 ZINC000095964598 211289271 /nfs/dbraw/zinc/28/92/71/211289271.db2.gz BRYKCFIQWQLNAR-UHFFFAOYSA-N 1 2 380.448 4.746 50 0 GJAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2[nH]c3ccccc3c2CC)CC1 ZINC000091586638 211196916 /nfs/dbraw/zinc/19/69/16/211196916.db2.gz ZFEYRYHNIRWNME-UHFFFAOYSA-N 1 2 378.520 4.747 50 0 GJAALO CCn1cnnc1C[N@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072407913 211114934 /nfs/dbraw/zinc/11/49/34/211114934.db2.gz KTTCEGSQBOZTSR-UHFFFAOYSA-N 1 2 377.517 4.515 50 0 GJAALO CCn1cnnc1C[N@@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072407913 211114936 /nfs/dbraw/zinc/11/49/36/211114936.db2.gz KTTCEGSQBOZTSR-UHFFFAOYSA-N 1 2 377.517 4.515 50 0 GJAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000090583550 211035603 /nfs/dbraw/zinc/03/56/03/211035603.db2.gz FKRBUQBKXWUJFF-UHFFFAOYSA-N 1 2 388.393 4.781 50 0 GJAALO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720003 210391130 /nfs/dbraw/zinc/39/11/30/210391130.db2.gz LRTOTJHXXZKHOO-HXUWFJFHSA-N 1 2 380.492 4.924 50 0 GJAALO CCOc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720003 210391135 /nfs/dbraw/zinc/39/11/35/210391135.db2.gz LRTOTJHXXZKHOO-HXUWFJFHSA-N 1 2 380.492 4.924 50 0 GJAALO O=C(c1ccc(Cl)s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166331 210320395 /nfs/dbraw/zinc/32/03/95/210320395.db2.gz YWTBQFSWCPVODW-UHFFFAOYSA-N 1 2 396.943 4.949 50 0 GJAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc3c(c2)CCO3)c1 ZINC000019745799 210292049 /nfs/dbraw/zinc/29/20/49/210292049.db2.gz TXRWLQWWUZKPPE-AREMUKBSSA-N 1 2 396.490 4.956 50 0 GJAALO Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc3c(c2)CCO3)c1 ZINC000019745799 210292053 /nfs/dbraw/zinc/29/20/53/210292053.db2.gz TXRWLQWWUZKPPE-AREMUKBSSA-N 1 2 396.490 4.956 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+]3CCOc4ccccc4C3)c(C)o2)c(C)c1C ZINC000012075094 221148211 /nfs/dbraw/zinc/14/82/11/221148211.db2.gz WYHHKRUBPOZPCT-UHFFFAOYSA-N 1 2 378.472 4.670 50 0 GJAALO COc1ccc(-c2nc(C[N@H+]3CCOc4ccccc4C3)c(C)o2)c(C)c1C ZINC000012075094 221148213 /nfs/dbraw/zinc/14/82/13/221148213.db2.gz WYHHKRUBPOZPCT-UHFFFAOYSA-N 1 2 378.472 4.670 50 0 GJAALO CCc1[nH+]c2ccccc2n1CC(=O)N(c1c(C)cccc1CC)[C@@H](C)COC ZINC000001470646 570236284 /nfs/dbraw/zinc/23/62/84/570236284.db2.gz JQMYKPLIETUFDS-SFHVURJKSA-N 1 2 393.531 4.538 50 0 GJAALO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)s2)CC1)c1ccc(Cl)cc1 ZINC000049363167 570263197 /nfs/dbraw/zinc/26/31/97/570263197.db2.gz LJNDIQIXADUMTA-UHFFFAOYSA-N 1 2 387.892 4.514 50 0 GJAALO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020638315 570273776 /nfs/dbraw/zinc/27/37/76/570273776.db2.gz NIFXGTWASPTNST-UHFFFAOYSA-N 1 2 388.467 4.563 50 0 GJAALO FC(F)(F)c1cccc(CN2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000021583513 570292624 /nfs/dbraw/zinc/29/26/24/570292624.db2.gz DMHXGVJLLYCIMX-UHFFFAOYSA-N 1 2 391.462 4.633 50 0 GJAALO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000022025280 570302673 /nfs/dbraw/zinc/30/26/73/570302673.db2.gz ISJXCTZHVQJFFJ-QGZVFWFLSA-N 1 2 396.922 4.577 50 0 GJAALO COc1ccc(-c2csc3ncnc(Nc4ccc(N(C)C)[nH+]c4)c23)cc1 ZINC000014241267 570303882 /nfs/dbraw/zinc/30/38/82/570303882.db2.gz YAPURBQAPRALPO-UHFFFAOYSA-N 1 2 377.473 4.572 50 0 GJAALO CCCCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1C ZINC000002852765 570309214 /nfs/dbraw/zinc/30/92/14/570309214.db2.gz GEHHWPJBLVYBDJ-UHFFFAOYSA-N 1 2 379.508 4.704 50 0 GJAALO O=C(Cc1ccccc1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000022309175 570312784 /nfs/dbraw/zinc/31/27/84/570312784.db2.gz HVIAKQBMYMKWII-UHFFFAOYSA-N 1 2 393.490 4.979 50 0 in-vitro GJAALO 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biogenic GJAALO COc1ccccc1C[N@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542568 570472264 /nfs/dbraw/zinc/47/22/64/570472264.db2.gz PMQCXJPHFMLXHQ-JOCHJYFZSA-N 1 2 378.447 4.646 50 0 GJAALO COc1ccccc1C[N@@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542568 570472268 /nfs/dbraw/zinc/47/22/68/570472268.db2.gz PMQCXJPHFMLXHQ-JOCHJYFZSA-N 1 2 378.447 4.646 50 0 GJAALO COc1ccccc1C[N@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542564 570472283 /nfs/dbraw/zinc/47/22/83/570472283.db2.gz PMQCXJPHFMLXHQ-QFIPXVFZSA-N 1 2 378.447 4.646 50 0 GJAALO COc1ccccc1C[N@@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542564 570472287 /nfs/dbraw/zinc/47/22/87/570472287.db2.gz PMQCXJPHFMLXHQ-QFIPXVFZSA-N 1 2 378.447 4.646 50 0 GJAALO CSC1=[NH+][C@@H](c2ccccc2)C=C(C(O)(c2ccccc2)c2ccccc2)N1 ZINC000006408250 570479416 /nfs/dbraw/zinc/47/94/16/570479416.db2.gz GPAXSHYGCADKMB-OAQYLSRUSA-N 1 2 386.520 4.870 50 0 GJAALO CCOC(=O)c1c(C)c2ccccc2nc1CSc1[nH+]cc2ccccn21 ZINC000030764991 570495628 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C[N@@H+](Cc1ccon1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011873700 570589576 /nfs/dbraw/zinc/58/95/76/570589576.db2.gz IJTIWXBIFBMZSI-UHFFFAOYSA-N 1 2 398.466 4.965 50 0 GJAALO COc1ccc(Sc2ccc(NC(=O)[C@@H](C)n3cc[nH+]c3)cc2Cl)cc1 ZINC000058004851 570706280 /nfs/dbraw/zinc/70/62/80/570706280.db2.gz YBZIAOFKFKCOFG-CYBMUJFWSA-N 1 2 387.892 4.896 50 0 GJAALO Cc1c(O)ccc2c(C[N@H+](Cc3ccco3)Cc3cccs3)cc(=O)oc12 ZINC000012806115 570719043 /nfs/dbraw/zinc/71/90/43/570719043.db2.gz DWVSWQRBSACSPC-UHFFFAOYSA-N 1 2 381.453 4.664 50 0 GJAALO Cc1c(O)ccc2c(C[N@@H+](Cc3ccco3)Cc3cccs3)cc(=O)oc12 ZINC000012806115 570719047 /nfs/dbraw/zinc/71/90/47/570719047.db2.gz DWVSWQRBSACSPC-UHFFFAOYSA-N 1 2 381.453 4.664 50 0 GJAALO COc1cc2c(cc1NC(=O)C[N@@H+]1CCc3ccccc3C1)oc1ccccc12 ZINC000000948395 570733039 /nfs/dbraw/zinc/73/30/39/570733039.db2.gz GAJYZXWRKKMBDG-UHFFFAOYSA-N 1 2 386.451 4.591 50 0 GJAALO COc1cc2c(cc1NC(=O)C[N@H+]1CCc3ccccc3C1)oc1ccccc12 ZINC000000948395 570733044 /nfs/dbraw/zinc/73/30/44/570733044.db2.gz GAJYZXWRKKMBDG-UHFFFAOYSA-N 1 2 386.451 4.591 50 0 GJAALO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052537569 570753121 /nfs/dbraw/zinc/75/31/21/570753121.db2.gz IBAHJHFLDCPYOI-UHFFFAOYSA-N 1 2 385.939 4.533 50 0 GJAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 ZINC000036638659 570775752 /nfs/dbraw/zinc/77/57/52/570775752.db2.gz IGBLQQDUEWOXKB-CQSZACIVSA-N 1 2 377.941 4.600 50 0 GJAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 ZINC000036638659 570775753 /nfs/dbraw/zinc/77/57/53/570775753.db2.gz IGBLQQDUEWOXKB-CQSZACIVSA-N 1 2 377.941 4.600 50 0 GJAALO CCCCn1c(SCc2cc(-c3ccco3)on2)nnc1[C@H](CC)[NH+](C)C ZINC000032745311 570792754 /nfs/dbraw/zinc/79/27/54/570792754.db2.gz BTTJHCPWPHUSEC-HNNXBMFYSA-N 1 2 389.525 4.631 50 0 GJAALO CC(C)(C)c1cc(NC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 ZINC000032777469 570799931 /nfs/dbraw/zinc/79/99/31/570799931.db2.gz MTHQUYKKZNEQCA-UHFFFAOYSA-N 1 2 395.425 4.594 50 0 GJAALO CC(C)(C)c1cc(NC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 ZINC000032777469 570799933 /nfs/dbraw/zinc/79/99/33/570799933.db2.gz MTHQUYKKZNEQCA-UHFFFAOYSA-N 1 2 395.425 4.594 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2[nH+]1 ZINC000033084677 570806312 /nfs/dbraw/zinc/80/63/12/570806312.db2.gz YVOKGVCUSPMEIF-UHFFFAOYSA-N 1 2 376.504 4.708 50 0 GJAALO CC(C)COc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012507712 570823707 /nfs/dbraw/zinc/82/37/07/570823707.db2.gz DZMCLQCQZSTHOF-FQEVSTJZSA-N 1 2 397.906 4.628 50 0 GJAALO C[N@H+](Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1CCCCC1 ZINC000012544012 570844030 /nfs/dbraw/zinc/84/40/30/570844030.db2.gz QWPJRZVDOFXNBE-UHFFFAOYSA-N 1 2 397.523 4.826 50 0 GJAALO C[N@@H+](Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1CCCCC1 ZINC000012544012 570844032 /nfs/dbraw/zinc/84/40/32/570844032.db2.gz QWPJRZVDOFXNBE-UHFFFAOYSA-N 1 2 397.523 4.826 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000012550204 570851606 /nfs/dbraw/zinc/85/16/06/570851606.db2.gz UYECJRMYRWSZLF-INIZCTEOSA-N 1 2 393.249 4.777 50 0 GJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)[nH+]1 ZINC000017013173 570924229 /nfs/dbraw/zinc/92/42/29/570924229.db2.gz VVWLEMVZJMVPLL-UHFFFAOYSA-N 1 2 399.857 4.639 50 0 GJAALO COc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)c1 ZINC000252570849 570995827 /nfs/dbraw/zinc/99/58/27/570995827.db2.gz XKOAZCZVZOPDJU-UHFFFAOYSA-N 1 2 392.459 4.622 50 0 GJAALO COc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)c1 ZINC000252570849 570995830 /nfs/dbraw/zinc/99/58/30/570995830.db2.gz XKOAZCZVZOPDJU-UHFFFAOYSA-N 1 2 392.459 4.622 50 0 GJAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C4CCCCC4)csc3C2)nc1 ZINC000426667623 529642061 /nfs/dbraw/zinc/64/20/61/529642061.db2.gz RTFKZJJAVQXUHB-UHFFFAOYSA-N 1 2 397.588 4.669 50 0 GJAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C4CCCCC4)csc3C2)nc1 ZINC000426667623 529642064 /nfs/dbraw/zinc/64/20/64/529642064.db2.gz RTFKZJJAVQXUHB-UHFFFAOYSA-N 1 2 397.588 4.669 50 0 GJAALO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000017080525 210203948 /nfs/dbraw/zinc/20/39/48/210203948.db2.gz UUWSMJYNAXEWFM-UHFFFAOYSA-N 1 2 394.371 4.816 50 0 GJAALO Cc1c2ccc(C)cc2oc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015080731 210152026 /nfs/dbraw/zinc/15/20/26/210152026.db2.gz ZUXVFAKOEJPTIR-GOSISDBHSA-N 1 2 380.463 4.583 50 0 GJAALO Cc1c2ccc(C)cc2oc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015080731 210152029 /nfs/dbraw/zinc/15/20/29/210152029.db2.gz ZUXVFAKOEJPTIR-GOSISDBHSA-N 1 2 380.463 4.583 50 0 GJAALO CC1CC[NH+](Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000012938654 210033235 /nfs/dbraw/zinc/03/32/35/210033235.db2.gz YGDGRBJLNTXBCS-UHFFFAOYSA-N 1 2 384.332 4.934 50 0 GJAALO Cc1ccc(C[N@H+](CCc2ccccc2)Cn2nc(C3CC3)[nH]c2=S)s1 ZINC000012814032 210015503 /nfs/dbraw/zinc/01/55/03/210015503.db2.gz FMGZHMUCAKRQJS-UHFFFAOYSA-N 1 2 384.574 4.890 50 0 GJAALO Cc1ccc(C[N@@H+](CCc2ccccc2)Cn2nc(C3CC3)[nH]c2=S)s1 ZINC000012814032 210015507 /nfs/dbraw/zinc/01/55/07/210015507.db2.gz FMGZHMUCAKRQJS-UHFFFAOYSA-N 1 2 384.574 4.890 50 0 GJAALO O=C(c1ccccc1F)N(Cc1[nH+]ccn1Cc1ccccc1Cl)C1CC1 ZINC000006689533 209669833 /nfs/dbraw/zinc/66/98/33/209669833.db2.gz MUWLJODJIRVTKX-UHFFFAOYSA-N 1 2 383.854 4.529 50 0 GJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000004659342 204060526 /nfs/dbraw/zinc/06/05/26/204060526.db2.gz LFCQVOYKUIJFGR-UHFFFAOYSA-N 1 2 382.471 4.568 50 0 GJAALO CCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000006143560 204168376 /nfs/dbraw/zinc/16/83/76/204168376.db2.gz GVGDWFPVMONMDP-UHFFFAOYSA-N 1 2 391.496 4.673 50 0 GJAALO CCN1CCSc2ccc(C(=O)NCCC[N@H+](CC)c3cccc(C)c3)cc21 ZINC000006802692 204208155 /nfs/dbraw/zinc/20/81/55/204208155.db2.gz LAWRDYGMLOQTKY-UHFFFAOYSA-N 1 2 397.588 4.573 50 0 GJAALO CCN1CCSc2ccc(C(=O)NCCC[N@@H+](CC)c3cccc(C)c3)cc21 ZINC000006802692 204208161 /nfs/dbraw/zinc/20/81/61/204208161.db2.gz LAWRDYGMLOQTKY-UHFFFAOYSA-N 1 2 397.588 4.573 50 0 GJAALO O=c1nc(C[NH2+]Cc2ccccc2Cl)[nH]c2scc(-c3ccccc3)c21 ZINC000006652446 204189371 /nfs/dbraw/zinc/18/93/71/204189371.db2.gz DDHOXXWEOSQYRJ-UHFFFAOYSA-N 1 2 381.888 4.595 50 0 GJAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000006723484 204195197 /nfs/dbraw/zinc/19/51/97/204195197.db2.gz CFNUWPVSUOHZNN-UHFFFAOYSA-N 1 2 380.319 4.633 50 0 GJAALO Cc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3cccn3)nc(C)[nH+]2)cc1 ZINC000035597385 204269706 /nfs/dbraw/zinc/26/97/06/204269706.db2.gz CSKVABNWGYJKBH-UHFFFAOYSA-N 1 2 399.458 4.667 50 0 GJAALO C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378106 204309986 /nfs/dbraw/zinc/30/99/86/204309986.db2.gz RAQSDJPQMOZFRF-LJQANCHMSA-N 1 2 381.479 4.882 50 0 GJAALO C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009466630 204312727 /nfs/dbraw/zinc/31/27/27/204312727.db2.gz LROVKMODKZLXKZ-LJQANCHMSA-N 1 2 397.478 4.796 50 0 GJAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)C[C@@H](c1ccccc1)c1ccccc1F ZINC000011664668 204349603 /nfs/dbraw/zinc/34/96/03/204349603.db2.gz HRTLHROUUAKRER-FQEVSTJZSA-N 1 2 379.479 4.518 50 0 GJAALO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000011933007 204362534 /nfs/dbraw/zinc/36/25/34/204362534.db2.gz FBUVXIDJPIEAKN-QGZVFWFLSA-N 1 2 396.512 4.815 50 0 GJAALO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000011933007 204362540 /nfs/dbraw/zinc/36/25/40/204362540.db2.gz FBUVXIDJPIEAKN-QGZVFWFLSA-N 1 2 396.512 4.815 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000012305845 204393879 /nfs/dbraw/zinc/39/38/79/204393879.db2.gz RBVPZCJLGCAUOG-OAQYLSRUSA-N 1 2 391.446 4.616 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000012305845 204393881 /nfs/dbraw/zinc/39/38/81/204393881.db2.gz RBVPZCJLGCAUOG-OAQYLSRUSA-N 1 2 391.446 4.616 50 0 GJAALO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040096343 205051704 /nfs/dbraw/zinc/05/17/04/205051704.db2.gz VRXJINNFSLZYDI-UHFFFAOYSA-N 1 2 380.536 4.678 50 0 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/nfs/dbraw/zinc/84/93/91/570849391.db2.gz SHPOZTPONDTYSZ-MRXNPFEDSA-N 1 2 390.512 4.682 50 0 GJAALO COc1cc(Nc2[nH+]cnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc(OC)c1 ZINC000033252569 570860979 /nfs/dbraw/zinc/86/09/79/570860979.db2.gz MOYPVKOKCSGUED-UHFFFAOYSA-N 1 2 392.434 4.937 50 0 GJAALO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012559509 570861287 /nfs/dbraw/zinc/86/12/87/570861287.db2.gz WOOSZYHREZDVSX-SFHVURJKSA-N 1 2 397.837 4.787 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000012559606 570861563 /nfs/dbraw/zinc/86/15/63/570861563.db2.gz CLBCQMFIVNQGSS-MRXNPFEDSA-N 1 2 393.249 4.777 50 0 GJAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012569636 570873478 /nfs/dbraw/zinc/87/34/78/570873478.db2.gz IXCBGRYXXVNNDG-QGZVFWFLSA-N 1 2 383.561 4.686 50 0 GJAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012569636 570873479 /nfs/dbraw/zinc/87/34/79/570873479.db2.gz IXCBGRYXXVNNDG-QGZVFWFLSA-N 1 2 383.561 4.686 50 0 GJAALO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012574950 570875346 /nfs/dbraw/zinc/87/53/46/570875346.db2.gz QBRYHSSSJLZRGH-KRWDZBQOSA-N 1 2 397.837 4.787 50 0 GJAALO Cc1[nH+]c2cc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 ZINC000012596087 570884497 /nfs/dbraw/zinc/88/44/97/570884497.db2.gz IVCDMFOTNBLHFC-QFIPXVFZSA-N 1 2 397.434 4.574 50 0 GJAALO COc1ccc(-n2c3ccccc3nc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000012655178 570947223 /nfs/dbraw/zinc/94/72/23/570947223.db2.gz YMXFYVZIPDTUDW-UHFFFAOYSA-N 1 2 386.480 4.974 50 0 GJAALO Clc1ccc2[nH+]c(CSc3nnc(NC4CCCCC4)s3)cn2c1 ZINC000012659293 570947378 /nfs/dbraw/zinc/94/73/78/570947378.db2.gz HHGBOXOYVKHNMX-UHFFFAOYSA-N 1 2 379.942 4.876 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c(C)c1 ZINC000012758905 571008022 /nfs/dbraw/zinc/00/80/22/571008022.db2.gz RTVUQOPKANDPRL-HSZRJFAPSA-N 1 2 376.525 4.951 50 0 GJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c(C)c1 ZINC000012758905 571008026 /nfs/dbraw/zinc/00/80/26/571008026.db2.gz RTVUQOPKANDPRL-HSZRJFAPSA-N 1 2 376.525 4.951 50 0 GJAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1C ZINC000012762838 571013159 /nfs/dbraw/zinc/01/31/59/571013159.db2.gz KUNDBJJNSIWPSL-QHCPKHFHSA-N 1 2 376.525 4.951 50 0 GJAALO Cc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c1C ZINC000012762838 571013162 /nfs/dbraw/zinc/01/31/62/571013162.db2.gz KUNDBJJNSIWPSL-QHCPKHFHSA-N 1 2 376.525 4.951 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000007718755 571019322 /nfs/dbraw/zinc/01/93/22/571019322.db2.gz JTPRPTRNEKVBLP-CZUORRHYSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000007718755 571019323 /nfs/dbraw/zinc/01/93/23/571019323.db2.gz JTPRPTRNEKVBLP-CZUORRHYSA-N 1 2 385.489 4.713 50 0 GJAALO COCCN(Cc1cccs1)C(=O)c1ccc(-c2cc(C)[nH+]c(C)c2)cc1 ZINC000426578560 231242786 /nfs/dbraw/zinc/24/27/86/231242786.db2.gz HJWRQRIEQBYFQA-UHFFFAOYSA-N 1 2 380.513 4.716 50 0 GJAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCCCCC4)csc3C2)nc1 ZINC000426582821 529643618 /nfs/dbraw/zinc/64/36/18/529643618.db2.gz MSCOUFRFHUAWHN-UHFFFAOYSA-N 1 2 397.588 4.670 50 0 GJAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCCCCC4)csc3C2)nc1 ZINC000426582821 529643622 /nfs/dbraw/zinc/64/36/22/529643622.db2.gz MSCOUFRFHUAWHN-UHFFFAOYSA-N 1 2 397.588 4.670 50 0 GJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1Cl ZINC000015880209 210178536 /nfs/dbraw/zinc/17/85/36/210178536.db2.gz FUUZCODQKLJANP-UHFFFAOYSA-N 1 2 383.904 4.607 50 0 GJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1Cl ZINC000015880209 210178541 /nfs/dbraw/zinc/17/85/41/210178541.db2.gz FUUZCODQKLJANP-UHFFFAOYSA-N 1 2 383.904 4.607 50 0 GJAALO CC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)cc1 ZINC000015863884 210176225 /nfs/dbraw/zinc/17/62/25/210176225.db2.gz DISYSCJFCLSTSX-UHFFFAOYSA-N 1 2 398.466 4.559 50 0 GJAALO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000015451213 210159324 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/nfs/dbraw/zinc/23/83/01/204238301.db2.gz PQWGEMUMHBFNJY-OAQYLSRUSA-N 1 2 394.544 4.905 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000007718753 204247921 /nfs/dbraw/zinc/24/79/21/204247921.db2.gz JTPRPTRNEKVBLP-XJKSGUPXSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000007718753 204247923 /nfs/dbraw/zinc/24/79/23/204247923.db2.gz JTPRPTRNEKVBLP-XJKSGUPXSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926668 204255177 /nfs/dbraw/zinc/25/51/77/204255177.db2.gz IFEWBDPHVJXNEI-INIZCTEOSA-N 1 2 390.483 4.510 50 0 GJAALO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926668 204255181 /nfs/dbraw/zinc/25/51/81/204255181.db2.gz IFEWBDPHVJXNEI-INIZCTEOSA-N 1 2 390.483 4.510 50 0 GJAALO COC1CC[NH+](CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000008921343 204294568 /nfs/dbraw/zinc/29/45/68/204294568.db2.gz LENHZWAVJRZBTD-UHFFFAOYSA-N 1 2 388.920 4.580 50 0 GJAALO c1csc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)c1 ZINC000009833894 204324383 /nfs/dbraw/zinc/32/43/83/204324383.db2.gz COOQZPPMLAFOMJ-UHFFFAOYSA-N 1 2 382.514 4.787 50 0 GJAALO CCn1ccnc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011819155 204354962 /nfs/dbraw/zinc/35/49/62/204354962.db2.gz HUVZQHAHZRFJTD-UHFFFAOYSA-N 1 2 391.563 4.983 50 0 GJAALO CCn1ccnc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011819155 204354965 /nfs/dbraw/zinc/35/49/65/204354965.db2.gz HUVZQHAHZRFJTD-UHFFFAOYSA-N 1 2 391.563 4.983 50 0 GJAALO CCn1cc[nH+]c1CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011819155 204354968 /nfs/dbraw/zinc/35/49/68/204354968.db2.gz HUVZQHAHZRFJTD-UHFFFAOYSA-N 1 2 391.563 4.983 50 0 GJAALO O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000032978596 204936063 /nfs/dbraw/zinc/93/60/63/204936063.db2.gz RFDJHQPEDGSKAG-UHFFFAOYSA-N 1 2 381.501 4.570 50 0 GJAALO c1cn(Cc2ccccc2)c(CSc2nnc(Nc3ccccc3)s2)[nH+]1 ZINC000040067306 205048865 /nfs/dbraw/zinc/04/88/65/205048865.db2.gz BCDIZLWJQZIHKX-UHFFFAOYSA-N 1 2 379.514 4.819 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(Br)c1 ZINC000048367669 205122444 /nfs/dbraw/zinc/12/24/44/205122444.db2.gz XQFARRHKZZCIOS-MRXNPFEDSA-N 1 2 379.323 4.595 50 0 GJAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c(Br)c1 ZINC000048367669 205122449 /nfs/dbraw/zinc/12/24/49/205122449.db2.gz XQFARRHKZZCIOS-MRXNPFEDSA-N 1 2 379.323 4.595 50 0 GJAALO C[N@H+](Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)Cc1ccccc1 ZINC000057427711 205157201 /nfs/dbraw/zinc/15/72/01/205157201.db2.gz SKOAHUPCMZQBHV-UHFFFAOYSA-N 1 2 385.467 4.948 50 0 GJAALO C[N@@H+](Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)Cc1ccccc1 ZINC000057427711 205157204 /nfs/dbraw/zinc/15/72/04/205157204.db2.gz SKOAHUPCMZQBHV-UHFFFAOYSA-N 1 2 385.467 4.948 50 0 GJAALO O=C(CNc1ccccc1Cl)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000063656078 205187121 /nfs/dbraw/zinc/18/71/21/205187121.db2.gz DEHZMTIYQPZEBO-UHFFFAOYSA-N 1 2 380.879 4.590 50 0 GJAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccco3)c21 ZINC000058160612 205165495 /nfs/dbraw/zinc/16/54/95/205165495.db2.gz HHLBHGGPZVAGMF-CYBMUJFWSA-N 1 2 383.498 4.643 50 0 GJAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccco3)c21 ZINC000058160612 205165500 /nfs/dbraw/zinc/16/55/00/205165500.db2.gz HHLBHGGPZVAGMF-CYBMUJFWSA-N 1 2 383.498 4.643 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1Cl)N1CCCC1 ZINC000067288245 205244029 /nfs/dbraw/zinc/24/40/29/205244029.db2.gz PTXJEJADDSETCD-UHFFFAOYSA-N 1 2 383.854 4.875 50 0 GJAALO COc1cc[nH+]c(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067692836 205255849 /nfs/dbraw/zinc/25/58/49/205255849.db2.gz LMXWCBHNZOSARB-UHFFFAOYSA-N 1 2 396.874 4.511 50 0 GJAALO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000079019527 205379265 /nfs/dbraw/zinc/37/92/65/205379265.db2.gz NZFGGKAJJOKZHP-INIZCTEOSA-N 1 2 382.464 4.600 50 0 GJAALO COc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000242339070 206129845 /nfs/dbraw/zinc/12/98/45/206129845.db2.gz ZERSWYVXFMUDRB-UHFFFAOYSA-N 1 2 392.459 4.622 50 0 GJAALO COc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000242339070 206129850 /nfs/dbraw/zinc/12/98/50/206129850.db2.gz ZERSWYVXFMUDRB-UHFFFAOYSA-N 1 2 392.459 4.622 50 0 GJAALO CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000095515320 211261589 /nfs/dbraw/zinc/26/15/89/211261589.db2.gz LQDMYVSHOJCOBY-UHFFFAOYSA-N 1 2 389.499 4.598 50 0 GJAALO Clc1ccc(Cl)c(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000071260588 211042761 /nfs/dbraw/zinc/04/27/61/211042761.db2.gz IFHCFLCEXVUUBT-UHFFFAOYSA-N 1 2 382.320 4.536 50 0 GJAALO O=C(Nc1ccccc1Cc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040098905 210772330 /nfs/dbraw/zinc/77/23/30/210772330.db2.gz WJMWAFBPBWNIKT-UHFFFAOYSA-N 1 2 391.540 4.689 50 0 GJAALO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241790 210324234 /nfs/dbraw/zinc/32/42/34/210324234.db2.gz ZGBQMSSQFDLODF-UHFFFAOYSA-N 1 2 399.538 4.565 50 0 GJAALO Cc1cccc(C)c1NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007985738 221018730 /nfs/dbraw/zinc/01/87/30/221018730.db2.gz WMLMTONCSQGPII-UHFFFAOYSA-N 1 2 384.483 4.904 50 0 GJAALO CCn1cc[nH+]c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000011820351 221128823 /nfs/dbraw/zinc/12/88/23/221128823.db2.gz DUGCUBWPYUBKDR-DEOSSOPVSA-N 1 2 386.499 4.541 50 0 GJAALO CCn1cc[nH+]c1CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000011820352 221129677 /nfs/dbraw/zinc/12/96/77/221129677.db2.gz DUGCUBWPYUBKDR-XMMPIXPASA-N 1 2 386.499 4.541 50 0 GJAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000058160635 136154656 /nfs/dbraw/zinc/15/46/56/136154656.db2.gz HWUYZPPBIAHNFO-FQEVSTJZSA-N 1 2 391.540 4.803 50 0 GJAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000058160635 136154657 /nfs/dbraw/zinc/15/46/57/136154657.db2.gz HWUYZPPBIAHNFO-FQEVSTJZSA-N 1 2 391.540 4.803 50 0 GJAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 ZINC000058160634 136154710 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CCn1c(=S)n(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365733 570245988 /nfs/dbraw/zinc/24/59/88/570245988.db2.gz SYUQHXRUDKFILL-HXUWFJFHSA-N 1 2 391.544 4.605 50 0 GJAALO CCn1c(=S)n(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365733 570245991 /nfs/dbraw/zinc/24/59/91/570245991.db2.gz SYUQHXRUDKFILL-HXUWFJFHSA-N 1 2 391.544 4.605 50 0 GJAALO Fc1ccc(-n2ncc3c2nc[nH+]c3SCCCOc2ccccc2)cc1 ZINC000001891261 570270170 /nfs/dbraw/zinc/27/01/70/570270170.db2.gz ZPTBFLWHZRJYML-UHFFFAOYSA-N 1 2 380.448 4.516 50 0 GJAALO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000020686533 570275123 /nfs/dbraw/zinc/27/51/23/570275123.db2.gz HPWMLOPGFCCADN-UHFFFAOYSA-N 1 2 393.487 4.731 50 0 GJAALO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000020686533 570275125 /nfs/dbraw/zinc/27/51/25/570275125.db2.gz HPWMLOPGFCCADN-UHFFFAOYSA-N 1 2 393.487 4.731 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c(F)c1 ZINC000012928143 570298295 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GJAALO COc1ccccc1C1(C(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)CC1 ZINC000575619205 570366953 /nfs/dbraw/zinc/36/69/53/570366953.db2.gz IQYIIRFYAOANCU-UHFFFAOYSA-N 1 2 387.483 4.565 50 0 GJAALO O=C(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000004395051 570373761 /nfs/dbraw/zinc/37/37/61/570373761.db2.gz ADRSXCJPNVWPCV-UHFFFAOYSA-N 1 2 381.278 4.527 50 0 GJAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000023909382 570374934 /nfs/dbraw/zinc/37/49/34/570374934.db2.gz QXPJDRALLALXBY-CYBMUJFWSA-N 1 2 393.537 4.832 50 0 GJAALO C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000023909382 570374939 /nfs/dbraw/zinc/37/49/39/570374939.db2.gz QXPJDRALLALXBY-CYBMUJFWSA-N 1 2 393.537 4.832 50 0 GJAALO CC(C)COc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887377 570397415 /nfs/dbraw/zinc/39/74/15/570397415.db2.gz WHWMFNRMNBVINO-INIZCTEOSA-N 1 2 387.549 4.662 50 0 GJAALO CC(C)COc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024887377 570397418 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389.499 4.639 50 0 GJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)C2CC2)cc1 ZINC000036082691 570560214 /nfs/dbraw/zinc/56/02/14/570560214.db2.gz BNQBIONRYGEKCN-GOSISDBHSA-N 1 2 389.499 4.639 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@@H+](C)C[C@H]2[C@@H]1c1ccccc1Cl ZINC000042784407 570622700 /nfs/dbraw/zinc/62/27/00/570622700.db2.gz HXYNGQNRDBZUMF-ZWPJVJPNSA-N 1 2 386.326 4.981 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@H+](C)C[C@H]2[C@@H]1c1ccccc1Cl ZINC000042784407 570622705 /nfs/dbraw/zinc/62/27/05/570622705.db2.gz HXYNGQNRDBZUMF-ZWPJVJPNSA-N 1 2 386.326 4.981 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@@H+](C)C[C@@H]2[C@@H]1c1ccccc1Cl ZINC000042784406 570622767 /nfs/dbraw/zinc/62/27/67/570622767.db2.gz HXYNGQNRDBZUMF-SQCZWCDGSA-N 1 2 386.326 4.981 50 0 GJAALO CN1N=C2/C(=C/c3ccccc3Cl)C[N@H+](C)C[C@@H]2[C@@H]1c1ccccc1Cl ZINC000042784406 570622774 /nfs/dbraw/zinc/62/27/74/570622774.db2.gz HXYNGQNRDBZUMF-SQCZWCDGSA-N 1 2 386.326 4.981 50 0 GJAALO 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COc1ccc(F)c(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)c1 ZINC000015076065 570878953 /nfs/dbraw/zinc/87/89/53/570878953.db2.gz YKFDYNIISANDGW-NRFANRHFSA-N 1 2 381.451 4.920 50 0 GJAALO COc1ccc(F)c(-c2nc(C[N@H+]3CCCC[C@H]3c3cccnc3)c(C)o2)c1 ZINC000015076065 570878956 /nfs/dbraw/zinc/87/89/56/570878956.db2.gz YKFDYNIISANDGW-NRFANRHFSA-N 1 2 381.451 4.920 50 0 GJAALO COc1ccc(Nc2nnc(SCc3cn4c(cccc4C)[nH+]3)s2)cc1 ZINC000012624052 570900140 /nfs/dbraw/zinc/90/01/40/570900140.db2.gz KFUIOSJRVWQFLO-UHFFFAOYSA-N 1 2 383.502 4.539 50 0 GJAALO C(=NN=c1cc(N2CCCCCC2)[nH]c(N2CCCCCC2)[nH+]1)c1ccccc1 ZINC000004578455 570905489 /nfs/dbraw/zinc/90/54/89/570905489.db2.gz DZLCPDKSRYZORF-UHFFFAOYSA-N 1 2 392.551 4.683 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[NH+]1CCC(C)CC1)S2 ZINC000023157152 570920523 /nfs/dbraw/zinc/92/05/23/570920523.db2.gz QDDLQMDCVDVUAJ-SFHVURJKSA-N 1 2 384.549 4.750 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017144195 570928666 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380.319 4.775 50 0 GJAALO COc1ccc(C[N@H+](Cn2nc(C)n(-c3ccccc3C)c2=S)C2CC2)cc1 ZINC000007316446 204238602 /nfs/dbraw/zinc/23/86/02/204238602.db2.gz KHDYJZOMALWIPH-UHFFFAOYSA-N 1 2 394.544 4.651 50 0 GJAALO COc1ccc(C[N@@H+](Cn2nc(C)n(-c3ccccc3C)c2=S)C2CC2)cc1 ZINC000007316446 204238607 /nfs/dbraw/zinc/23/86/07/204238607.db2.gz KHDYJZOMALWIPH-UHFFFAOYSA-N 1 2 394.544 4.651 50 0 GJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104711 204306007 /nfs/dbraw/zinc/30/60/07/204306007.db2.gz KBAIUAJMRMHVQW-LRDDRELGSA-N 1 2 390.940 4.534 50 0 GJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104711 204306010 /nfs/dbraw/zinc/30/60/10/204306010.db2.gz KBAIUAJMRMHVQW-LRDDRELGSA-N 1 2 390.940 4.534 50 0 GJAALO Cc1ccc(C[N@@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)s1 ZINC000011872003 204358903 /nfs/dbraw/zinc/35/89/03/204358903.db2.gz HJVMDDPBGXUTQF-UHFFFAOYSA-N 1 2 392.981 4.763 50 0 GJAALO Cc1ccc(C[N@H+](C)Cc2nnc(SCc3ccccc3Cl)n2C)s1 ZINC000011872003 204358905 /nfs/dbraw/zinc/35/89/05/204358905.db2.gz HJVMDDPBGXUTQF-UHFFFAOYSA-N 1 2 392.981 4.763 50 0 GJAALO COc1ccccc1[C@H]1c2cccn2CCC[N@H+]1Cc1cccc(OC)c1OC ZINC000036347719 205012618 /nfs/dbraw/zinc/01/26/18/205012618.db2.gz HGXTUUZZCJVOGO-QHCPKHFHSA-N 1 2 392.499 4.509 50 0 GJAALO COc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000036347719 205012621 /nfs/dbraw/zinc/01/26/21/205012621.db2.gz HGXTUUZZCJVOGO-QHCPKHFHSA-N 1 2 392.499 4.509 50 0 GJAALO COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)[nH+]c3ccc(C)cn32)c1 ZINC000035616557 204994359 /nfs/dbraw/zinc/99/43/59/204994359.db2.gz BMFUTZBYIQCMQG-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(Br)cc3)co2)cc1 ZINC000036705977 205020458 /nfs/dbraw/zinc/02/04/58/205020458.db2.gz LEECDBJERAIPED-UHFFFAOYSA-N 1 2 387.277 4.745 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(Br)cc3)co2)cc1 ZINC000036705977 205020462 /nfs/dbraw/zinc/02/04/62/205020462.db2.gz LEECDBJERAIPED-UHFFFAOYSA-N 1 2 387.277 4.745 50 0 GJAALO C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)c(F)c1 ZINC000048249247 205114120 /nfs/dbraw/zinc/11/41/20/205114120.db2.gz SIBQASBVXIAJHP-UHFFFAOYSA-N 1 2 383.320 4.666 50 0 GJAALO C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)c(F)c1 ZINC000048249247 205114121 /nfs/dbraw/zinc/11/41/21/205114121.db2.gz SIBQASBVXIAJHP-UHFFFAOYSA-N 1 2 383.320 4.666 50 0 GJAALO CCc1ccc(C[N@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447613 205148470 /nfs/dbraw/zinc/14/84/70/205148470.db2.gz LYHJEACKGZESEW-DEOSSOPVSA-N 1 2 397.526 4.755 50 0 GJAALO CCc1ccc(C[N@@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447613 205148475 /nfs/dbraw/zinc/14/84/75/205148475.db2.gz LYHJEACKGZESEW-DEOSSOPVSA-N 1 2 397.526 4.755 50 0 GJAALO CCOc1ccc(NC(=S)N2CCC[N@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000058096580 205165013 /nfs/dbraw/zinc/16/50/13/205165013.db2.gz KDFVZDOGCZOZRT-UHFFFAOYSA-N 1 2 389.952 4.601 50 0 GJAALO CCOc1ccc(NC(=S)N2CCC[N@@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000058096580 205165018 /nfs/dbraw/zinc/16/50/18/205165018.db2.gz KDFVZDOGCZOZRT-UHFFFAOYSA-N 1 2 389.952 4.601 50 0 GJAALO C[NH+](C)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471618 205189894 /nfs/dbraw/zinc/18/98/94/205189894.db2.gz NOBJMGAUMLNVHD-UHFFFAOYSA-N 1 2 392.478 4.810 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCC1 ZINC000067288282 205244048 /nfs/dbraw/zinc/24/40/48/205244048.db2.gz MDMLGFGMHLOAPQ-UHFFFAOYSA-N 1 2 397.881 4.918 50 0 GJAALO Fc1ccc(-c2n[nH]cc2Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)cc1 ZINC000067756321 205258966 /nfs/dbraw/zinc/25/89/66/205258966.db2.gz MDWIICAYOYRCQP-SFHVURJKSA-N 1 2 388.446 4.632 50 0 GJAALO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000072408776 205347153 /nfs/dbraw/zinc/34/71/53/205347153.db2.gz ITPXGHWMOWJKHN-UHFFFAOYSA-N 1 2 386.455 4.724 50 0 GJAALO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000072408776 205347158 /nfs/dbraw/zinc/34/71/58/205347158.db2.gz ITPXGHWMOWJKHN-UHFFFAOYSA-N 1 2 386.455 4.724 50 0 GJAALO O=C(c1ccco1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180953 206071463 /nfs/dbraw/zinc/07/14/63/206071463.db2.gz SWGFQOVJJXUSBW-UHFFFAOYSA-N 1 2 386.904 4.620 50 0 GJAALO Cc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)c5ccccc5[nH+]4)C3)C2=O)c1 ZINC000072407102 211114621 /nfs/dbraw/zinc/11/46/21/211114621.db2.gz ZMRXLSSYVANMKO-SANMLTNESA-N 1 2 399.538 4.871 50 0 GJAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071754735 211058476 /nfs/dbraw/zinc/05/84/76/211058476.db2.gz AIRRGXKFMUKZLQ-MRXNPFEDSA-N 1 2 395.453 4.840 50 0 GJAALO c1csc(-c2n[nH]cc2Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)c1 ZINC000067713109 211016903 /nfs/dbraw/zinc/01/69/03/211016903.db2.gz QXLSOPXECNSSTC-INIZCTEOSA-N 1 2 376.485 4.554 50 0 GJAALO CCc1ccsc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000059984541 210926474 /nfs/dbraw/zinc/92/64/74/210926474.db2.gz DWXKZXMMYYKUNI-INIZCTEOSA-N 1 2 380.916 4.670 50 0 GJAALO Cc1cc2[nH+]cn(CCCC(=O)Nc3ccccc3N3CCCC3)c2cc1C ZINC000040135222 210777837 /nfs/dbraw/zinc/77/78/37/210777837.db2.gz KHJRQHLMCWDBJE-UHFFFAOYSA-N 1 2 376.504 4.672 50 0 GJAALO O=C(Nc1ccccc1Cc1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000040098897 210524238 /nfs/dbraw/zinc/52/42/38/210524238.db2.gz NDDIIDAMTUYZIT-UHFFFAOYSA-N 1 2 391.540 4.689 50 0 GJAALO Cc1cc(C[NH+]2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)no1 ZINC000065627178 136164204 /nfs/dbraw/zinc/16/42/04/136164204.db2.gz OZLWDANYESQGSI-UHFFFAOYSA-N 1 2 384.483 4.520 50 0 GJAALO Cc1nn(C)c(Cl)c1C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019745477 570213616 /nfs/dbraw/zinc/21/36/16/570213616.db2.gz QUVQMBANTBUZLB-FQEVSTJZSA-N 1 2 385.870 4.657 50 0 GJAALO Cc1nn(C)c(Cl)c1C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019745477 570213617 /nfs/dbraw/zinc/21/36/17/570213617.db2.gz QUVQMBANTBUZLB-FQEVSTJZSA-N 1 2 385.870 4.657 50 0 GJAALO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851742 570266272 /nfs/dbraw/zinc/26/62/72/570266272.db2.gz SQYFUXLLUVNUBI-HXUWFJFHSA-N 1 2 397.906 4.702 50 0 GJAALO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851742 570266273 /nfs/dbraw/zinc/26/62/73/570266273.db2.gz SQYFUXLLUVNUBI-HXUWFJFHSA-N 1 2 397.906 4.702 50 0 GJAALO CC1=C[C@@H](C)[C@]2(COC(=O)C[NH+]3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C ZINC000000758963 570317836 /nfs/dbraw/zinc/31/78/36/570317836.db2.gz HNJMMPWWHNRBHV-FFNHNOQQSA-N 1 2 397.559 4.622 50 0 biogenic GJAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000016262021 570321444 /nfs/dbraw/zinc/32/14/44/570321444.db2.gz KDANPRFTTFRKER-HXUWFJFHSA-N 1 2 399.947 4.852 50 0 GJAALO CCOc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCCCC2)cc1 ZINC000023643430 570329282 /nfs/dbraw/zinc/32/92/82/570329282.db2.gz DVDZFOKWDNRZBF-UHFFFAOYSA-N 1 2 378.447 4.994 50 0 GJAALO CC(C)(C)C(=O)NC1CCN(c2[nH+]c3ccccc3n2C2CCCCC2)CC1 ZINC000034907138 570339468 /nfs/dbraw/zinc/33/94/68/570339468.db2.gz YEPJVNMQOARWBE-UHFFFAOYSA-N 1 2 382.552 4.673 50 0 GJAALO O=C(NC1CCCCC1)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906670 570339491 /nfs/dbraw/zinc/33/94/91/570339491.db2.gz FRFSUAATWMRNIU-SFHVURJKSA-N 1 2 394.563 4.817 50 0 GJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCc3sccc3[C@H]2C)o1 ZINC000023967963 570340322 /nfs/dbraw/zinc/34/03/22/570340322.db2.gz RYALUVDKTMIJBS-CYBMUJFWSA-N 1 2 392.484 4.881 50 0 GJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCc3sccc3[C@H]2C)o1 ZINC000023967963 570340324 /nfs/dbraw/zinc/34/03/24/570340324.db2.gz RYALUVDKTMIJBS-CYBMUJFWSA-N 1 2 392.484 4.881 50 0 GJAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)nc1 ZINC000575620207 570368972 /nfs/dbraw/zinc/36/89/72/570368972.db2.gz OTXBOEOEEZWDBJ-UHFFFAOYSA-N 1 2 386.377 4.553 50 0 GJAALO O=C(NCCc1cccs1)c1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000024775198 570393004 /nfs/dbraw/zinc/39/30/04/570393004.db2.gz NWQWXHDYNNSASQ-UHFFFAOYSA-N 1 2 387.508 4.632 50 0 GJAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004735670 570399550 /nfs/dbraw/zinc/39/95/50/570399550.db2.gz VQVMTVSAJOKHDW-QFIPXVFZSA-N 1 2 396.450 4.670 50 0 GJAALO CSc1ncc(Cl)c(C(c2ccccc2)(c2ccccc2)n2cc[nH+]c2)n1 ZINC000005297947 570433326 /nfs/dbraw/zinc/43/33/26/570433326.db2.gz NLEJMMOFLMHUIS-UHFFFAOYSA-N 1 2 392.915 4.889 50 0 GJAALO Cc1cc(O[C@@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1C(C)C ZINC000044369912 570440277 /nfs/dbraw/zinc/44/02/77/570440277.db2.gz CBCDABIQNHXJFT-AVRDEDQJSA-N 1 2 391.515 4.525 50 0 GJAALO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000248118997 570441349 /nfs/dbraw/zinc/44/13/49/570441349.db2.gz MNVZAXASRIFKJS-ZHRRBRCNSA-N 1 2 396.581 4.977 50 0 GJAALO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000248118997 570441350 /nfs/dbraw/zinc/44/13/50/570441350.db2.gz MNVZAXASRIFKJS-ZHRRBRCNSA-N 1 2 396.581 4.977 50 0 GJAALO CSc1ccc(C[N@H+](C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 ZINC000006475746 570446492 /nfs/dbraw/zinc/44/64/92/570446492.db2.gz VRQIZTUZMKPMER-UHFFFAOYSA-N 1 2 393.434 4.708 50 0 GJAALO CSc1ccc(C[N@@H+](C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 ZINC000006475746 570446495 /nfs/dbraw/zinc/44/64/95/570446495.db2.gz VRQIZTUZMKPMER-UHFFFAOYSA-N 1 2 393.434 4.708 50 0 GJAALO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)C1 ZINC000029516055 570475319 /nfs/dbraw/zinc/47/53/19/570475319.db2.gz LAUJWEGEZMMNAH-IAGOWNOFSA-N 1 2 379.529 4.745 50 0 GJAALO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820501 570480761 /nfs/dbraw/zinc/48/07/61/570480761.db2.gz NNSWMVLJOKUTFW-KRWDZBQOSA-N 1 2 382.291 4.591 50 0 GJAALO Cc1noc(C)c1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820501 570480764 /nfs/dbraw/zinc/48/07/64/570480764.db2.gz NNSWMVLJOKUTFW-KRWDZBQOSA-N 1 2 382.291 4.591 50 0 GJAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1c(F)cccc1F ZINC000032960675 570532013 /nfs/dbraw/zinc/53/20/13/570532013.db2.gz NMBDKTFIYJCJTQ-UHFFFAOYSA-N 1 2 377.394 4.879 50 0 GJAALO Cc1ccc(C[N@@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447626 570541514 /nfs/dbraw/zinc/54/15/14/570541514.db2.gz MTCGSQUVBZQPHI-HSZRJFAPSA-N 1 2 383.499 4.501 50 0 GJAALO Cc1ccc(C[N@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447626 570541518 /nfs/dbraw/zinc/54/15/18/570541518.db2.gz MTCGSQUVBZQPHI-HSZRJFAPSA-N 1 2 383.499 4.501 50 0 GJAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907103 570563612 /nfs/dbraw/zinc/56/36/12/570563612.db2.gz UMYXZQAESJPIEA-LJQANCHMSA-N 1 2 398.865 4.602 50 0 GJAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907103 570563613 /nfs/dbraw/zinc/56/36/13/570563613.db2.gz UMYXZQAESJPIEA-LJQANCHMSA-N 1 2 398.865 4.602 50 0 GJAALO Cc1c[nH]c(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)n1 ZINC000011664720 570578420 /nfs/dbraw/zinc/57/84/20/570578420.db2.gz REZDHVOOVHMCMR-UHFFFAOYSA-N 1 2 385.515 4.820 50 0 GJAALO Cc1c[nH]c(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)n1 ZINC000011664720 570578423 /nfs/dbraw/zinc/57/84/23/570578423.db2.gz REZDHVOOVHMCMR-UHFFFAOYSA-N 1 2 385.515 4.820 50 0 GJAALO Cc1c[nH]c(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)[nH+]1 ZINC000011664720 570578426 /nfs/dbraw/zinc/57/84/26/570578426.db2.gz REZDHVOOVHMCMR-UHFFFAOYSA-N 1 2 385.515 4.820 50 0 GJAALO COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)c1 ZINC000001510407 570585340 /nfs/dbraw/zinc/58/53/40/570585340.db2.gz FGKFEHDUQPHFAW-UHFFFAOYSA-N 1 2 387.439 4.603 50 0 GJAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](CCO)Cc1cccs1 ZINC000012073628 570604701 /nfs/dbraw/zinc/60/47/01/570604701.db2.gz YAZWKJURUVVLSG-UHFFFAOYSA-N 1 2 396.434 4.725 50 0 GJAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000012073628 570604705 /nfs/dbraw/zinc/60/47/05/570604705.db2.gz YAZWKJURUVVLSG-UHFFFAOYSA-N 1 2 396.434 4.725 50 0 GJAALO CCN(CC)C(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000004597493 570629000 /nfs/dbraw/zinc/62/90/00/570629000.db2.gz WHTHBIIAVJGNSA-HXUWFJFHSA-N 1 2 394.906 4.847 50 0 GJAALO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)n[nH]1 ZINC000012315921 570641129 /nfs/dbraw/zinc/64/11/29/570641129.db2.gz 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Cc1ccc(SC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)cc1 ZINC000012708215 570701040 /nfs/dbraw/zinc/70/10/40/570701040.db2.gz SKJLYDPJAOPQFI-UHFFFAOYSA-N 1 2 393.556 4.920 50 0 GJAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000032664849 570730903 /nfs/dbraw/zinc/73/09/03/570730903.db2.gz ISPFDOCATGVEHY-UHFFFAOYSA-N 1 2 398.890 4.891 50 0 GJAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000032664849 570730908 /nfs/dbraw/zinc/73/09/08/570730908.db2.gz ISPFDOCATGVEHY-UHFFFAOYSA-N 1 2 398.890 4.891 50 0 GJAALO Cn1c(=S)n(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000013071834 570745211 /nfs/dbraw/zinc/74/52/11/570745211.db2.gz SUUKMYRYSFDUBL-GDBMZVCRSA-N 1 2 376.957 4.741 50 0 GJAALO Cn1c(=S)n(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000013071834 570745213 /nfs/dbraw/zinc/74/52/13/570745213.db2.gz SUUKMYRYSFDUBL-GDBMZVCRSA-N 1 2 376.957 4.741 50 0 GJAALO CCOc1ccc(C[N@H+](C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)cc1 ZINC000013073734 570745690 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/nfs/dbraw/zinc/03/79/17/205037917.db2.gz AUUBWAPXBFELOX-HXUWFJFHSA-N 1 2 396.512 4.632 50 0 GJAALO COc1ccc2cc([C@H](C)C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)ccc2c1 ZINC000040050723 205048575 /nfs/dbraw/zinc/04/85/75/205048575.db2.gz QICBGGVXJCHCPY-AWEZNQCLSA-N 1 2 393.874 4.569 50 0 GJAALO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984452 205204173 /nfs/dbraw/zinc/20/41/73/205204173.db2.gz PRKHDIMSGSAKSX-MRXNPFEDSA-N 1 2 379.298 4.906 50 0 GJAALO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984452 205204177 /nfs/dbraw/zinc/20/41/77/205204177.db2.gz PRKHDIMSGSAKSX-MRXNPFEDSA-N 1 2 379.298 4.906 50 0 GJAALO Cc1ccc(F)cc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471770 205190612 /nfs/dbraw/zinc/19/06/12/205190612.db2.gz AHFLAUQHCNYURU-UHFFFAOYSA-N 1 2 381.476 4.615 50 0 GJAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccccc1Cl)N1CCSCC1 ZINC000064471729 205191036 /nfs/dbraw/zinc/19/10/36/205191036.db2.gz DYRRINFFGFUVEG-UHFFFAOYSA-N 1 2 383.904 4.821 50 0 GJAALO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000096012651 211295248 /nfs/dbraw/zinc/29/52/48/211295248.db2.gz SOTWRHNEZMYHDL-UHFFFAOYSA-N 1 2 393.447 4.661 50 0 GJAALO C[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356871 211222417 /nfs/dbraw/zinc/22/24/17/211222417.db2.gz NGAGYLHIGIGWBX-RDJZCZTQSA-N 1 2 395.311 4.800 50 0 GJAALO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095356871 211222419 /nfs/dbraw/zinc/22/24/19/211222419.db2.gz NGAGYLHIGIGWBX-RDJZCZTQSA-N 1 2 395.311 4.800 50 0 GJAALO COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000083921516 211165174 /nfs/dbraw/zinc/16/51/74/211165174.db2.gz GVDZWZQQXAGZTJ-UHFFFAOYSA-N 1 2 381.863 4.801 50 0 GJAALO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000069484616 211038983 /nfs/dbraw/zinc/03/89/83/211038983.db2.gz IIQDEVVZUQMZPA-UHFFFAOYSA-N 1 2 396.494 4.852 50 0 GJAALO Cc1ccc2c(c1)[nH]c(C(=O)N1CC[NH+](C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466680 210339470 /nfs/dbraw/zinc/33/94/70/210339470.db2.gz HXXJPYLLVOGOGE-UHFFFAOYSA-N 1 2 399.947 4.669 50 0 GJAALO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000020119473 210318052 /nfs/dbraw/zinc/31/80/52/210318052.db2.gz MEOZWIWVNWRDLA-KRWDZBQOSA-N 1 2 381.907 4.805 50 0 GJAALO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000020119473 210318056 /nfs/dbraw/zinc/31/80/56/210318056.db2.gz MEOZWIWVNWRDLA-KRWDZBQOSA-N 1 2 381.907 4.805 50 0 GJAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2ccc3c(c2)CCO3)c1 ZINC000019745797 210291709 /nfs/dbraw/zinc/29/17/09/210291709.db2.gz TXRWLQWWUZKPPE-SANMLTNESA-N 1 2 396.490 4.956 50 0 GJAALO Oc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2ccc3c(c2)CCO3)c1 ZINC000019745797 210291712 /nfs/dbraw/zinc/29/17/12/210291712.db2.gz TXRWLQWWUZKPPE-SANMLTNESA-N 1 2 396.490 4.956 50 0 GJAALO Cc1cc(NC(=O)c2cc(F)ccc2Br)c[nH+]c1N1CCCCC1 ZINC000095462447 136179296 /nfs/dbraw/zinc/17/92/96/136179296.db2.gz UEKIXSMCUWCQJA-UHFFFAOYSA-N 1 2 392.272 4.534 50 0 GJAALO CCN(CC)C(=O)c1c[nH+]c2ccc(Cl)cc2c1N1CCc2ccccc2C1 ZINC000072328429 535486379 /nfs/dbraw/zinc/48/63/79/535486379.db2.gz IXDREQHXPNREBE-UHFFFAOYSA-N 1 2 393.918 4.933 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048262171 570224550 /nfs/dbraw/zinc/22/45/50/570224550.db2.gz QEPHTPDDAHXGMT-FQEVSTJZSA-N 1 2 382.435 4.835 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048262171 570224552 /nfs/dbraw/zinc/22/45/52/570224552.db2.gz QEPHTPDDAHXGMT-FQEVSTJZSA-N 1 2 382.435 4.835 50 0 GJAALO O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020494848 570263899 /nfs/dbraw/zinc/26/38/99/570263899.db2.gz FQAQONQZGIHVEA-UHFFFAOYSA-N 1 2 397.828 4.709 50 0 GJAALO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000022185708 570306809 /nfs/dbraw/zinc/30/68/09/570306809.db2.gz ZZPVYQPGYOCFLB-HXUWFJFHSA-N 1 2 397.906 4.702 50 0 GJAALO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000022185708 570306810 /nfs/dbraw/zinc/30/68/10/570306810.db2.gz ZZPVYQPGYOCFLB-HXUWFJFHSA-N 1 2 397.906 4.702 50 0 GJAALO O=C(NCCCNc1[nH+]c2ccccc2n1C1CCCCC1)NC1CCCCC1 ZINC000034906860 570339291 /nfs/dbraw/zinc/33/92/91/570339291.db2.gz SRSCKERKTAZLNU-UHFFFAOYSA-N 1 2 397.567 4.975 50 0 GJAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2SC(F)F)C1 ZINC000575615017 570352748 /nfs/dbraw/zinc/35/27/48/570352748.db2.gz AUKFCVIIJKBCEH-CQSZACIVSA-N 1 2 387.455 4.747 50 0 GJAALO Cc1ccsc1C[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882615 570374688 /nfs/dbraw/zinc/37/46/88/570374688.db2.gz KEMDSSBXNFPKOT-UHFFFAOYSA-N 1 2 381.526 4.654 50 0 GJAALO Cc1ccsc1C[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023882615 570374691 /nfs/dbraw/zinc/37/46/91/570374691.db2.gz KEMDSSBXNFPKOT-UHFFFAOYSA-N 1 2 381.526 4.654 50 0 GJAALO CC(C)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000006690092 570533127 /nfs/dbraw/zinc/53/31/27/570533127.db2.gz RCURLAXCUVOEPD-UHFFFAOYSA-N 1 2 397.350 4.957 50 0 GJAALO CCN(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000006690011 570533418 /nfs/dbraw/zinc/53/34/18/570533418.db2.gz FPTPGAHJAXVBPM-UHFFFAOYSA-N 1 2 383.323 4.568 50 0 GJAALO CC[C@@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1 ZINC000034906500 570547276 /nfs/dbraw/zinc/54/72/76/570547276.db2.gz OBRDJTGOJACEPO-GOSISDBHSA-N 1 2 396.579 4.748 50 0 GJAALO COc1cc(-c2[nH+]c3cccc(C)n3c2Nc2ccccc2)cc(OC)c1O ZINC000035615727 570555944 /nfs/dbraw/zinc/55/59/44/570555944.db2.gz RQZXRAYUCVPVAD-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO COc1ccccc1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2cc(C)ccn21 ZINC000035615998 570556341 /nfs/dbraw/zinc/55/63/41/570556341.db2.gz ICLBUQJFPXJXFH-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cc2c(s1)CCCCCC2 ZINC000032978576 570570737 /nfs/dbraw/zinc/57/07/37/570570737.db2.gz XSHRCMWYYJUSHC-UHFFFAOYSA-N 1 2 375.563 4.712 50 0 GJAALO Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)c1 ZINC000225460659 570576872 /nfs/dbraw/zinc/57/68/72/570576872.db2.gz PNYIKJBQNUBXGU-UHFFFAOYSA-N 1 2 376.460 4.922 50 0 GJAALO Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)c1 ZINC000225460659 570576874 /nfs/dbraw/zinc/57/68/74/570576874.db2.gz PNYIKJBQNUBXGU-UHFFFAOYSA-N 1 2 376.460 4.922 50 0 GJAALO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873787 570589269 /nfs/dbraw/zinc/58/92/69/570589269.db2.gz CDBRJLGCLCRBPF-NRFANRHFSA-N 1 2 377.488 4.591 50 0 GJAALO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873787 570589272 /nfs/dbraw/zinc/58/92/72/570589272.db2.gz CDBRJLGCLCRBPF-NRFANRHFSA-N 1 2 377.488 4.591 50 0 GJAALO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c(OC)c1 ZINC000036347841 570630441 /nfs/dbraw/zinc/63/04/41/570630441.db2.gz ZNWKLGCMKXNIST-QHCPKHFHSA-N 1 2 380.463 4.640 50 0 GJAALO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c(OC)c1 ZINC000036347841 570630442 /nfs/dbraw/zinc/63/04/42/570630442.db2.gz ZNWKLGCMKXNIST-QHCPKHFHSA-N 1 2 380.463 4.640 50 0 GJAALO COc1ccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 ZINC000004600207 570633210 /nfs/dbraw/zinc/63/32/10/570633210.db2.gz BYMQAHNMXXZDDU-UHFFFAOYSA-N 1 2 395.528 4.793 50 0 GJAALO CN(C)c1cccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c1 ZINC000033020492 570645982 /nfs/dbraw/zinc/64/59/82/570645982.db2.gz PYMAGXJIKBNQMI-UHFFFAOYSA-N 1 2 398.510 4.677 50 0 GJAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012432342 570660119 /nfs/dbraw/zinc/66/01/19/570660119.db2.gz ZIWALCUCFCYVDI-MRXNPFEDSA-N 1 2 393.453 4.722 50 0 GJAALO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012432342 570660121 /nfs/dbraw/zinc/66/01/21/570660121.db2.gz ZIWALCUCFCYVDI-MRXNPFEDSA-N 1 2 393.453 4.722 50 0 GJAALO COc1ccccc1C[N@H+](Cc1cccn1-c1nccs1)Cc1cccnc1 ZINC000055413078 570694939 /nfs/dbraw/zinc/69/49/39/570694939.db2.gz JWBFPRUQJCATLA-UHFFFAOYSA-N 1 2 390.512 4.540 50 0 GJAALO COc1ccccc1C[N@@H+](Cc1cccn1-c1nccs1)Cc1cccnc1 ZINC000055413078 570694942 /nfs/dbraw/zinc/69/49/42/570694942.db2.gz JWBFPRUQJCATLA-UHFFFAOYSA-N 1 2 390.512 4.540 50 0 GJAALO O=c1nc(C[N@@H+]2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccco3)c21 ZINC000058160613 570713094 /nfs/dbraw/zinc/71/30/94/570713094.db2.gz HHLBHGGPZVAGMF-ZDUSSCGKSA-N 1 2 383.498 4.643 50 0 GJAALO O=c1nc(C[N@H+]2CCC[C@H]2c2cccs2)[nH]c2scc(-c3ccco3)c21 ZINC000058160613 570713097 /nfs/dbraw/zinc/71/30/97/570713097.db2.gz HHLBHGGPZVAGMF-ZDUSSCGKSA-N 1 2 383.498 4.643 50 0 GJAALO O=C(CCCc1nc2ccccc2s1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025169387 570739617 /nfs/dbraw/zinc/73/96/17/570739617.db2.gz YPQQQDCTGJGMKX-UHFFFAOYSA-N 1 2 376.485 4.503 50 0 GJAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206876448 570754218 /nfs/dbraw/zinc/75/42/18/570754218.db2.gz UZDZWXBFHDYGQC-NRFANRHFSA-N 1 2 393.918 4.995 50 0 GJAALO Cc1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1F ZINC000064471775 570754697 /nfs/dbraw/zinc/75/46/97/570754697.db2.gz WIHUORUDGGSJLD-UHFFFAOYSA-N 1 2 381.476 4.615 50 0 GJAALO Cc1ccccc1C(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C ZINC000065260137 570762262 /nfs/dbraw/zinc/76/22/62/570762262.db2.gz UJMWXCLSYHKAHI-DEOSSOPVSA-N 1 2 390.531 4.514 50 0 GJAALO Fc1ccccc1Nc1nnc(SCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000032778934 570812127 /nfs/dbraw/zinc/81/21/27/570812127.db2.gz SUZPWRWKWDTVLR-UHFFFAOYSA-N 1 2 397.504 4.958 50 0 GJAALO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1N1CCCC1 ZINC000012521498 570828399 /nfs/dbraw/zinc/82/83/99/570828399.db2.gz WGHHZFLOFMXCCD-UHFFFAOYSA-N 1 2 382.895 4.622 50 0 GJAALO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1N1CCCC1 ZINC000012521498 570828401 /nfs/dbraw/zinc/82/84/01/570828401.db2.gz WGHHZFLOFMXCCD-UHFFFAOYSA-N 1 2 382.895 4.622 50 0 GJAALO C[N@H+](CN1C(=O)CC2(CCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197201 570828776 /nfs/dbraw/zinc/82/87/76/570828776.db2.gz JHPWJUPTUSZIIR-JOCHJYFZSA-N 1 2 394.490 4.514 50 0 GJAALO C[N@@H+](CN1C(=O)CC2(CCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197201 570828778 /nfs/dbraw/zinc/82/87/78/570828778.db2.gz JHPWJUPTUSZIIR-JOCHJYFZSA-N 1 2 394.490 4.514 50 0 GJAALO Cc1ccc2[nH+]c(COC(=O)c3cc(-c4ccco4)nc4ccccc43)cn2c1 ZINC000032823666 570837973 /nfs/dbraw/zinc/83/79/73/570837973.db2.gz LLNWBGDWMCKKLS-UHFFFAOYSA-N 1 2 383.407 4.808 50 0 GJAALO Cc1ccc2[nH+]c(COC(=O)c3c4ccccc4nc4c3CCCCC4)cn2c1 ZINC000032823662 570838135 /nfs/dbraw/zinc/83/81/35/570838135.db2.gz AQERLTMKAZJRGZ-UHFFFAOYSA-N 1 2 385.467 4.817 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037210496 570848294 /nfs/dbraw/zinc/84/82/94/570848294.db2.gz REXOSKSWXXIMHR-OAQYLSRUSA-N 1 2 398.553 4.713 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000037210496 570848298 /nfs/dbraw/zinc/84/82/98/570848298.db2.gz REXOSKSWXXIMHR-OAQYLSRUSA-N 1 2 398.553 4.713 50 0 GJAALO CN(C(=O)Nc1cccc(Cl)c1)[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012551498 570855019 /nfs/dbraw/zinc/85/50/19/570855019.db2.gz JUBRWHRJKODYIM-KRWDZBQOSA-N 1 2 389.286 4.980 50 0 GJAALO O=C1CCCC2=C1[C@@H](c1cccnc1)[NH+]=C(Nc1nc3ccccc3s1)N2 ZINC000102678507 570858149 /nfs/dbraw/zinc/85/81/49/570858149.db2.gz JKZCXJJMLKJTBZ-GOSISDBHSA-N 1 2 375.457 4.651 50 0 GJAALO Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032860062 570860211 /nfs/dbraw/zinc/86/02/11/570860211.db2.gz ZVVJCFNKGCLTGO-UHFFFAOYSA-N 1 2 387.508 4.898 50 0 GJAALO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000170613647 570871907 /nfs/dbraw/zinc/87/19/07/570871907.db2.gz MYVZLMOTIKASCU-IAGOWNOFSA-N 1 2 393.453 4.507 50 0 GJAALO Nc1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc[nH+]1 ZINC000170617569 570874948 /nfs/dbraw/zinc/87/49/48/570874948.db2.gz QKGZWASMBNSYOK-UHFFFAOYSA-N 1 2 393.903 4.857 50 0 GJAALO Cc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)c(C)n1[C@H](C)c1ccccc1 ZINC000170624947 570880921 /nfs/dbraw/zinc/88/09/21/570880921.db2.gz KPXGIHOWKNAQFY-GOSISDBHSA-N 1 2 386.499 4.600 50 0 GJAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000032900454 570894579 /nfs/dbraw/zinc/89/45/79/570894579.db2.gz FXOAXJWWIFCJEN-AWEZNQCLSA-N 1 2 387.936 4.685 50 0 GJAALO Cc1cccc2c(=O)[nH]c(C[NH2+][C@H](C)c3cc(F)c(Cl)cc3Cl)nc12 ZINC000016694828 570931285 /nfs/dbraw/zinc/93/12/85/570931285.db2.gz ZNGCSCRLULEKND-SNVBAGLBSA-N 1 2 380.250 4.528 50 0 GJAALO CCc1[nH]c2cc(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2[nH+]1 ZINC000033290547 570958718 /nfs/dbraw/zinc/95/87/18/570958718.db2.gz INEAANYJLUWNQH-UHFFFAOYSA-N 1 2 377.366 4.595 50 0 GJAALO CCc1[nH]c2ccc(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]1 ZINC000033290547 570958720 /nfs/dbraw/zinc/95/87/20/570958720.db2.gz INEAANYJLUWNQH-UHFFFAOYSA-N 1 2 377.366 4.595 50 0 GJAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252458396 570959595 /nfs/dbraw/zinc/95/95/95/570959595.db2.gz FJRXLIOAIYSABX-DYVFJYSZSA-N 1 2 382.485 4.861 50 0 GJAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252458396 570959599 /nfs/dbraw/zinc/95/95/99/570959599.db2.gz FJRXLIOAIYSABX-DYVFJYSZSA-N 1 2 382.485 4.861 50 0 GJAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cc(-c2ccccc2)[nH]n1 ZINC000585150601 570984006 /nfs/dbraw/zinc/98/40/06/570984006.db2.gz WTBHYQFHAPEAIT-UHFFFAOYSA-N 1 2 383.455 4.529 50 0 GJAALO Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CC(=O)NCC(C)C)c2cc1C ZINC000037398302 571005285 /nfs/dbraw/zinc/00/52/85/571005285.db2.gz AKKUXWGFYUOQTR-UHFFFAOYSA-N 1 2 383.923 4.670 50 0 GJAALO CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000007718690 571020562 /nfs/dbraw/zinc/02/05/62/571020562.db2.gz NDSLCVGAUCLPLO-HXUWFJFHSA-N 1 2 393.487 4.653 50 0 GJAALO CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000007718690 571020564 /nfs/dbraw/zinc/02/05/64/571020564.db2.gz NDSLCVGAUCLPLO-HXUWFJFHSA-N 1 2 393.487 4.653 50 0 GJAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 ZINC000091737039 571028235 /nfs/dbraw/zinc/02/82/35/571028235.db2.gz OFSXYMRZYOHMLQ-IBGZPJMESA-N 1 2 377.463 4.729 50 0 GJAALO O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000095398220 571073475 /nfs/dbraw/zinc/07/34/75/571073475.db2.gz AVZIJOPNYHUBGV-UHFFFAOYSA-N 1 2 384.523 4.667 50 0 GJAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@H]4CC)csc3C2)nc1 ZINC000426563482 529642954 /nfs/dbraw/zinc/64/29/54/529642954.db2.gz WUPLVBXPZORAIC-LJQANCHMSA-N 1 2 397.588 4.669 50 0 GJAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@H]4CC)csc3C2)nc1 ZINC000426563482 529642956 /nfs/dbraw/zinc/64/29/56/529642956.db2.gz WUPLVBXPZORAIC-LJQANCHMSA-N 1 2 397.588 4.669 50 0 GJAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1 ZINC000015825862 210170831 /nfs/dbraw/zinc/17/08/31/210170831.db2.gz CJGISCJGZGKZLE-UHFFFAOYSA-N 1 2 375.472 4.794 50 0 GJAALO CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000013320571 210056396 /nfs/dbraw/zinc/05/63/96/210056396.db2.gz CIXRHDPACVPDLU-UHFFFAOYSA-N 1 2 394.559 4.731 50 0 GJAALO CCCc1[nH+]c2ccccc2n1CC(=O)N(COCC)c1c(C)cccc1CC ZINC000013017753 210046889 /nfs/dbraw/zinc/04/68/89/210046889.db2.gz QJMZZYJPYXJXQK-UHFFFAOYSA-N 1 2 393.531 4.887 50 0 GJAALO COc1ccc(C[N@H+](Cn2nc(-c3ccc(C)cc3)n(C)c2=S)C2CC2)cc1 ZINC000012852750 210019000 /nfs/dbraw/zinc/01/90/00/210019000.db2.gz DAXJHOJRPNPSKE-UHFFFAOYSA-N 1 2 394.544 4.557 50 0 GJAALO COc1ccc(C[N@@H+](Cn2nc(-c3ccc(C)cc3)n(C)c2=S)C2CC2)cc1 ZINC000012852750 210019004 /nfs/dbraw/zinc/01/90/04/210019004.db2.gz DAXJHOJRPNPSKE-UHFFFAOYSA-N 1 2 394.544 4.557 50 0 GJAALO CC(C)Cn1c(=O)c2ccccc2nc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000012623988 209987400 /nfs/dbraw/zinc/98/74/00/209987400.db2.gz NKNGYWVQHXIVLV-UHFFFAOYSA-N 1 2 398.919 4.646 50 0 GJAALO CCN(Cc1[nH+]ccn1Cc1c(C)cc(C)cc1C)C(=O)c1cccc(F)c1 ZINC000006689262 209669590 /nfs/dbraw/zinc/66/95/90/209669590.db2.gz CVCXWKYTSJVAIB-UHFFFAOYSA-N 1 2 379.479 4.658 50 0 GJAALO CC(C)CN(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)c1ccco1 ZINC000006689070 204191338 /nfs/dbraw/zinc/19/13/38/204191338.db2.gz DPDLYGZDWUTEFG-UHFFFAOYSA-N 1 2 389.858 4.615 50 0 GJAALO Cc1cccc(Cn2cc[nH+]c2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000006689239 204191558 /nfs/dbraw/zinc/19/15/58/204191558.db2.gz CVPBQQBORGOKJM-UHFFFAOYSA-N 1 2 379.479 4.677 50 0 GJAALO O=C(C1CCCC1)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000006690136 204191686 /nfs/dbraw/zinc/19/16/86/204191686.db2.gz JQOPJCZKBWBLON-UHFFFAOYSA-N 1 2 392.330 4.919 50 0 GJAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(C)C ZINC000006689766 204191783 /nfs/dbraw/zinc/19/17/83/204191783.db2.gz SJZNIGYZTGJFOD-UHFFFAOYSA-N 1 2 383.323 4.568 50 0 GJAALO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926669 204254763 /nfs/dbraw/zinc/25/47/63/204254763.db2.gz IFEWBDPHVJXNEI-MRXNPFEDSA-N 1 2 390.483 4.510 50 0 GJAALO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 ZINC000007926669 204254765 /nfs/dbraw/zinc/25/47/65/204254765.db2.gz IFEWBDPHVJXNEI-MRXNPFEDSA-N 1 2 390.483 4.510 50 0 GJAALO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000011878525 204359870 /nfs/dbraw/zinc/35/98/70/204359870.db2.gz NBLDVIBHMOQNKB-FQEVSTJZSA-N 1 2 381.451 4.535 50 0 GJAALO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000011878525 204359871 /nfs/dbraw/zinc/35/98/71/204359871.db2.gz NBLDVIBHMOQNKB-FQEVSTJZSA-N 1 2 381.451 4.535 50 0 GJAALO O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccccc1Cn1cc[nH+]c1 ZINC000012535452 204418973 /nfs/dbraw/zinc/41/89/73/204418973.db2.gz DKPONZQZIPWMRD-CMDGGOBGSA-N 1 2 386.282 4.568 50 0 GJAALO Fc1ccccc1OC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000012750710 204442102 /nfs/dbraw/zinc/44/21/02/204442102.db2.gz HRJRPVYHYUZJAE-UHFFFAOYSA-N 1 2 387.842 4.573 50 0 GJAALO COc1ccccc1C(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000032960856 204933773 /nfs/dbraw/zinc/93/37/73/204933773.db2.gz MOUYYLHWAQGLSC-UHFFFAOYSA-N 1 2 385.467 4.619 50 0 GJAALO C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)c1ccccn1 ZINC000036802643 205022295 /nfs/dbraw/zinc/02/22/95/205022295.db2.gz DHVNYBWNOUAQBC-INIZCTEOSA-N 1 2 388.496 4.513 50 0 GJAALO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037560699 205029489 /nfs/dbraw/zinc/02/94/89/205029489.db2.gz RWINBVNFDQIRCN-UHFFFAOYSA-N 1 2 376.422 4.512 50 0 GJAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(Br)s1 ZINC000057681160 205160299 /nfs/dbraw/zinc/16/02/99/205160299.db2.gz NBQCABZLGXOBKN-LLVKDONJSA-N 1 2 377.307 4.695 50 0 GJAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057681160 205160302 /nfs/dbraw/zinc/16/03/02/205160302.db2.gz NBQCABZLGXOBKN-LLVKDONJSA-N 1 2 377.307 4.695 50 0 GJAALO CCc1ccc(C(=O)NCCn2c(CCc3ccccc3)[nH+]c3ccccc32)cc1 ZINC000064888003 205199828 /nfs/dbraw/zinc/19/98/28/205199828.db2.gz OEGVYIATZVVMOD-UHFFFAOYSA-N 1 2 397.522 4.814 50 0 GJAALO Cc1ccc(-c2nc(N[C@@H](C)c3nccs3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065396797 205233722 /nfs/dbraw/zinc/23/37/22/205233722.db2.gz YCJVBCCCFVCLNR-AWEZNQCLSA-N 1 2 388.500 4.726 50 0 GJAALO Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc12 ZINC000065551894 205237840 /nfs/dbraw/zinc/23/78/40/205237840.db2.gz HGMCAOQWLXZQHW-UHFFFAOYSA-N 1 2 379.489 4.500 50 0 GJAALO CC(C)n1cc(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cn1 ZINC000067755388 205259206 /nfs/dbraw/zinc/25/92/06/205259206.db2.gz LVFCBTVZVJDYRL-UHFFFAOYSA-N 1 2 397.906 4.885 50 0 GJAALO CC(C)n1cc(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cn1 ZINC000067755388 205259208 /nfs/dbraw/zinc/25/92/08/205259208.db2.gz LVFCBTVZVJDYRL-UHFFFAOYSA-N 1 2 397.906 4.885 50 0 GJAALO Cc1nc2ccccn2c1C[N@H+](C)Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000067757896 205259516 /nfs/dbraw/zinc/25/95/16/205259516.db2.gz OKGLQYYZMDFXHC-UHFFFAOYSA-N 1 2 380.879 4.892 50 0 GJAALO Cc1nc2ccccn2c1C[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000067757896 205259521 /nfs/dbraw/zinc/25/95/21/205259521.db2.gz OKGLQYYZMDFXHC-UHFFFAOYSA-N 1 2 380.879 4.892 50 0 GJAALO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)[nH+]3)cc2)cc1 ZINC000072139285 205309070 /nfs/dbraw/zinc/30/90/70/205309070.db2.gz IQKXCXWPOQUCKC-UHFFFAOYSA-N 1 2 399.458 4.667 50 0 GJAALO COc1cccc([C@@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000079001630 205377070 /nfs/dbraw/zinc/37/70/70/205377070.db2.gz RWLNKQLOUWHSOH-QGZVFWFLSA-N 1 2 394.544 4.725 50 0 GJAALO O=C(Nc1ccc(Oc2ncccn2)cc1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000084374595 205394558 /nfs/dbraw/zinc/39/45/58/205394558.db2.gz ZOSPEYKFFNSTMN-UHFFFAOYSA-N 1 2 384.395 4.709 50 0 GJAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC)C1 ZINC000095511020 205482442 /nfs/dbraw/zinc/48/24/42/205482442.db2.gz GFQTZVXPHAOYBW-KRWDZBQOSA-N 1 2 378.520 4.747 50 0 GJAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)o1 ZINC000022289744 211759660 /nfs/dbraw/zinc/75/96/60/211759660.db2.gz TXPIHLGJGZEJQL-UHFFFAOYSA-N 1 2 385.464 4.780 50 0 GJAALO C[N@@H+]1/C(=C\C(=O)Nc2ccccc2Br)c2ccccc2CC1(C)C ZINC000032609491 206091077 /nfs/dbraw/zinc/09/10/77/206091077.db2.gz ZFGJCWXSTXGGKM-PDGQHHTCSA-N 1 2 385.305 4.695 50 0 GJAALO C[N@H+]1/C(=C\C(=O)Nc2ccccc2Br)c2ccccc2CC1(C)C ZINC000032609491 206091083 /nfs/dbraw/zinc/09/10/83/206091083.db2.gz ZFGJCWXSTXGGKM-PDGQHHTCSA-N 1 2 385.305 4.695 50 0 GJAALO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)o1 ZINC000229675110 206108727 /nfs/dbraw/zinc/10/87/27/206108727.db2.gz OWZMHOVTYYKDAE-BVZALQNUSA-N 1 2 394.540 4.802 50 0 GJAALO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)o1 ZINC000229675110 206108732 /nfs/dbraw/zinc/10/87/32/206108732.db2.gz OWZMHOVTYYKDAE-BVZALQNUSA-N 1 2 394.540 4.802 50 0 GJAALO Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3C3CCCC3)[nH+]c12 ZINC000005982313 211572356 /nfs/dbraw/zinc/57/23/56/211572356.db2.gz QMFXGCRRWGOACV-UHFFFAOYSA-N 1 2 390.512 4.760 50 0 GJAALO CCc1oc2ccccc2c1/C=C\C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000098002131 211375755 /nfs/dbraw/zinc/37/57/55/211375755.db2.gz OIPGIRPKLSIDJA-QXMHVHEDSA-N 1 2 385.467 4.570 50 0 GJAALO COc1cc(NCc2csc(-c3ccc(F)cc3)n2)[nH+]cc1Br ZINC000097022675 211354919 /nfs/dbraw/zinc/35/49/19/211354919.db2.gz KMORLPKRNXOWNJ-UHFFFAOYSA-N 1 2 394.269 4.727 50 0 GJAALO COCC[N@H+](Cc1cccn1Cc1cccc(C)c1)Cc1cc(F)ccc1F ZINC000096791858 211346322 /nfs/dbraw/zinc/34/63/22/211346322.db2.gz YKXZNSZTYYMSDK-UHFFFAOYSA-N 1 2 384.470 4.772 50 0 GJAALO COCC[N@@H+](Cc1cccn1Cc1cccc(C)c1)Cc1cc(F)ccc1F ZINC000096791858 211346325 /nfs/dbraw/zinc/34/63/25/211346325.db2.gz YKXZNSZTYYMSDK-UHFFFAOYSA-N 1 2 384.470 4.772 50 0 GJAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000095361265 211224140 /nfs/dbraw/zinc/22/41/40/211224140.db2.gz NLKWFIDCGBCCMW-OAHLLOKOSA-N 1 2 377.891 4.804 50 0 GJAALO COc1ccccc1-c1nn(C[NH+]2CCC(Cc3ccccc3)CC2)c(=S)o1 ZINC000089483991 211181381 /nfs/dbraw/zinc/18/13/81/211181381.db2.gz FBNXBCUHKKHAJP-UHFFFAOYSA-N 1 2 395.528 4.793 50 0 GJAALO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000067810222 211023400 /nfs/dbraw/zinc/02/34/00/211023400.db2.gz WPFPDSUMDURRRW-UHFFFAOYSA-N 1 2 375.443 4.757 50 0 investigational GJAALO CC(C)(C)c1cc([C@@H](c2ccncc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000021673409 210389376 /nfs/dbraw/zinc/38/93/76/210389376.db2.gz BKNZBXOKANILIF-OAQYLSRUSA-N 1 2 382.548 4.804 50 0 GJAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000019683150 210281617 /nfs/dbraw/zinc/28/16/17/210281617.db2.gz XQJWTJLJEYIUDZ-UHFFFAOYSA-N 1 2 396.874 4.685 50 0 aggregator,in-vitro GJAALO O=C(O[C@@H](/C=C1\CCCC=C1[NH+]1CCOCC1)c1ccccc1)c1ccccc1 ZINC000003226962 220612135 /nfs/dbraw/zinc/61/21/35/220612135.db2.gz FWHGSZPOIDNJLH-FABAWLPWSA-N 1 2 389.495 4.911 50 0 GJAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000095080907 136177779 /nfs/dbraw/zinc/17/77/79/136177779.db2.gz ILWCWMOPYUSICK-UHFFFAOYSA-N 1 2 399.254 4.790 50 0 GJAALO Cc1cccc(-c2ccc(NC(=O)C3CCN(c4cc(C)[nH+]cn4)CC3)cc2)c1 ZINC000095510501 136180660 /nfs/dbraw/zinc/18/06/60/136180660.db2.gz KDWKHYCWHUQFGO-UHFFFAOYSA-N 1 2 386.499 4.616 50 0 GJAALO Clc1ccc(OCc2cccnc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000096797763 136187530 /nfs/dbraw/zinc/18/75/30/136187530.db2.gz BPQQNUSAPAOOGZ-UHFFFAOYSA-N 1 2 393.918 4.636 50 0 GJAALO C[N@H+](Cn1nc2ccccn2c1=S)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012819832 570233205 /nfs/dbraw/zinc/23/32/05/570233205.db2.gz VTPBOOAKTTUWDF-HXUWFJFHSA-N 1 2 378.476 4.683 50 0 GJAALO C[N@@H+](Cn1nc2ccccn2c1=S)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000012819832 570233208 /nfs/dbraw/zinc/23/32/08/570233208.db2.gz VTPBOOAKTTUWDF-HXUWFJFHSA-N 1 2 378.476 4.683 50 0 GJAALO O=C(Nc1cccc2ccc(-n3cc[nH+]c3)nc21)c1ccccc1C(F)(F)F ZINC000049028042 570260109 /nfs/dbraw/zinc/26/01/09/570260109.db2.gz AHTIJGXBCHAFBP-UHFFFAOYSA-N 1 2 382.345 4.692 50 0 GJAALO CC1=C[C@H](C)[C@]2(COC(=O)C[NH+]3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C ZINC000085867783 570280388 /nfs/dbraw/zinc/28/03/88/570280388.db2.gz HNJMMPWWHNRBHV-MAOFURFTSA-N 1 2 397.559 4.622 50 0 biogenic GJAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC000021782602 570295980 /nfs/dbraw/zinc/29/59/80/570295980.db2.gz VNQVUOQIPHBTTI-UHFFFAOYSA-N 1 2 380.536 4.703 50 0 GJAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1)C1CCCCC1 ZINC000021782602 570295982 /nfs/dbraw/zinc/29/59/82/570295982.db2.gz VNQVUOQIPHBTTI-UHFFFAOYSA-N 1 2 380.536 4.703 50 0 GJAALO Cc1ccccc1[C@H](CC(=O)NCc1ccco1)c1c[nH+]c2n1CCC[C@H]2C ZINC000034921235 570345177 /nfs/dbraw/zinc/34/51/77/570345177.db2.gz SNQASJUXSUFJFG-XLIONFOSSA-N 1 2 377.488 4.520 50 0 GJAALO Cc1ccccc1[C@@H](CC(=O)NCc1ccco1)c1c[nH+]c2n1CCC[C@H]2C ZINC000034921232 570345267 /nfs/dbraw/zinc/34/52/67/570345267.db2.gz SNQASJUXSUFJFG-YLJYHZDGSA-N 1 2 377.488 4.520 50 0 GJAALO Fc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023409322 570361323 /nfs/dbraw/zinc/36/13/23/570361323.db2.gz QHSRQQPZKOAHGR-MRXNPFEDSA-N 1 2 380.448 4.823 50 0 GJAALO Fc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023409322 570361325 /nfs/dbraw/zinc/36/13/25/570361325.db2.gz QHSRQQPZKOAHGR-MRXNPFEDSA-N 1 2 380.448 4.823 50 0 GJAALO COc1cccc2cc(C(=O)Nc3ccccc3-c3cn4c([nH+]3)CCCC4)oc21 ZINC000575619220 570366924 /nfs/dbraw/zinc/36/69/24/570366924.db2.gz ISPYWGLXCVPCBW-UHFFFAOYSA-N 1 2 387.439 4.894 50 0 GJAALO Cc1ccc(-c2csc3[nH]c(C[N@@H+]4CCc5ccccc5C4)nc(=O)c23)s1 ZINC000023909309 570375105 /nfs/dbraw/zinc/37/51/05/570375105.db2.gz NZRTZVGYEGOFHW-UHFFFAOYSA-N 1 2 393.537 4.580 50 0 GJAALO Cc1ccc(-c2csc3[nH]c(C[N@H+]4CCc5ccccc5C4)nc(=O)c23)s1 ZINC000023909309 570375110 /nfs/dbraw/zinc/37/51/10/570375110.db2.gz NZRTZVGYEGOFHW-UHFFFAOYSA-N 1 2 393.537 4.580 50 0 GJAALO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733705 570399098 /nfs/dbraw/zinc/39/90/98/570399098.db2.gz UMMMQPSDPMZUED-UHFFFAOYSA-N 1 2 393.830 4.875 50 0 GJAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026758889 570428381 /nfs/dbraw/zinc/42/83/81/570428381.db2.gz HCPXQBCAVHACSL-CYBMUJFWSA-N 1 2 392.450 4.593 50 0 GJAALO O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000072284644 570473824 /nfs/dbraw/zinc/47/38/24/570473824.db2.gz ICXIVNRANVOLQW-UHFFFAOYSA-N 1 2 384.395 4.709 50 0 GJAALO CCOc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960667 570531906 /nfs/dbraw/zinc/53/19/06/570531906.db2.gz FMIIDCOGSJUISR-UHFFFAOYSA-N 1 2 385.467 4.999 50 0 GJAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)CC(C)C ZINC000006689108 570533743 /nfs/dbraw/zinc/53/37/43/570533743.db2.gz ZOWLUGZNOYMARC-UHFFFAOYSA-N 1 2 379.907 4.755 50 0 GJAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022766017 570543705 /nfs/dbraw/zinc/54/37/05/570543705.db2.gz ODBWGPHVVLUNBE-HXUWFJFHSA-N 1 2 398.478 4.556 50 0 GJAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022766017 570543709 /nfs/dbraw/zinc/54/37/09/570543709.db2.gz ODBWGPHVVLUNBE-HXUWFJFHSA-N 1 2 398.478 4.556 50 0 GJAALO CC[C@H](C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1 ZINC000034906501 570547363 /nfs/dbraw/zinc/54/73/63/570547363.db2.gz OBRDJTGOJACEPO-SFHVURJKSA-N 1 2 396.579 4.748 50 0 GJAALO CN(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000006723919 570552768 /nfs/dbraw/zinc/55/27/68/570552768.db2.gz DLOXJOVVQQSACJ-UHFFFAOYSA-N 1 2 392.261 4.650 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036446950 570711866 /nfs/dbraw/zinc/71/18/66/570711866.db2.gz REXOSKSWXXIMHR-NRFANRHFSA-N 1 2 398.553 4.713 50 0 GJAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036446950 570711869 /nfs/dbraw/zinc/71/18/69/570711869.db2.gz REXOSKSWXXIMHR-NRFANRHFSA-N 1 2 398.553 4.713 50 0 GJAALO Cc1ccc(-c2nc(N[C@H](C)c3nccs3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065396798 570765662 /nfs/dbraw/zinc/76/56/62/570765662.db2.gz YCJVBCCCFVCLNR-CQSZACIVSA-N 1 2 388.500 4.726 50 0 GJAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCCc2cccnc2)n1 ZINC000065410707 570767546 /nfs/dbraw/zinc/76/75/46/570767546.db2.gz SRPZJIITILUOOY-UHFFFAOYSA-N 1 2 385.515 4.634 50 0 GJAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1ccccc1 ZINC000007128424 570799795 /nfs/dbraw/zinc/79/97/95/570799795.db2.gz CHQCWNHXWAKDTF-QHCPKHFHSA-N 1 2 380.451 4.639 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000032772748 570805914 /nfs/dbraw/zinc/80/59/14/570805914.db2.gz HVUHWZBDOSBXEK-INIZCTEOSA-N 1 2 394.689 4.900 50 0 GJAALO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000033131236 570822006 /nfs/dbraw/zinc/82/20/06/570822006.db2.gz DNYKOUFCEVGJFC-UHFFFAOYSA-N 1 2 392.425 4.803 50 0 GJAALO COc1cccc(-c2cn3cc(-c4cccc(Br)c4)[nH+]c3n2C)c1 ZINC000004678376 570824186 /nfs/dbraw/zinc/82/41/86/570824186.db2.gz BJUZJHDSBHUUAH-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO COc1cccc(-c2cn3cc(-c4ccc(Br)cc4)[nH+]c3n2C)c1 ZINC000004678552 570824844 /nfs/dbraw/zinc/82/48/44/570824844.db2.gz XGTBODXOJHFEKP-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2C1 ZINC000012520085 570826535 /nfs/dbraw/zinc/82/65/35/570826535.db2.gz FWOKDESNPOMTBB-HNNXBMFYSA-N 1 2 380.517 4.732 50 0 GJAALO Cc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)c3cccc(F)c3)sc2c1 ZINC000007424663 570841723 /nfs/dbraw/zinc/84/17/23/570841723.db2.gz MHYZAOCMXFNXPH-UHFFFAOYSA-N 1 2 394.475 4.677 50 0 GJAALO C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547640 570849404 /nfs/dbraw/zinc/84/94/04/570849404.db2.gz SHPOZTPONDTYSZ-INIZCTEOSA-N 1 2 390.512 4.682 50 0 GJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)[nH+]1 ZINC000017013516 570923893 /nfs/dbraw/zinc/92/38/93/570923893.db2.gz FSOZUGGIEDHEPN-UHFFFAOYSA-N 1 2 387.487 4.771 50 0 GJAALO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC000105726743 570932068 /nfs/dbraw/zinc/93/20/68/570932068.db2.gz MUTVRXGSUWLRKX-IAGOWNOFSA-N 1 2 394.560 4.612 50 0 GJAALO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC000105726743 570932071 /nfs/dbraw/zinc/93/20/71/570932071.db2.gz MUTVRXGSUWLRKX-IAGOWNOFSA-N 1 2 394.560 4.612 50 0 GJAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1N1CCCCC1 ZINC000012744448 570987562 /nfs/dbraw/zinc/98/75/62/570987562.db2.gz WWMUCRUFLPLCHK-UHFFFAOYSA-N 1 2 389.902 4.540 50 0 GJAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1N1CCCCC1 ZINC000012744448 570987565 /nfs/dbraw/zinc/98/75/65/570987565.db2.gz WWMUCRUFLPLCHK-UHFFFAOYSA-N 1 2 389.902 4.540 50 0 GJAALO Cc1cc(N)nc(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)[nH+]1 ZINC000084114576 570999360 /nfs/dbraw/zinc/99/93/60/570999360.db2.gz ABHFMCWXPZXYHB-ZDUSSCGKSA-N 1 2 394.525 4.677 50 0 GJAALO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095519183 571085720 /nfs/dbraw/zinc/08/57/20/571085720.db2.gz GHGQRHYWJVWHAX-NRFANRHFSA-N 1 2 385.511 4.980 50 0 GJAALO c1ccc(CN2CCC[N@H+](Cc3ccccc3)C2c2ccc3c(c2)OCO3)cc1 ZINC000019324102 210239364 /nfs/dbraw/zinc/23/93/64/210239364.db2.gz WYMDIENOQKSIOF-UHFFFAOYSA-N 1 2 386.495 4.822 50 0 GJAALO c1ccc(CN2CCC[N@@H+](Cc3ccccc3)C2c2ccc3c(c2)OCO3)cc1 ZINC000019324102 210239368 /nfs/dbraw/zinc/23/93/68/210239368.db2.gz WYMDIENOQKSIOF-UHFFFAOYSA-N 1 2 386.495 4.822 50 0 GJAALO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017113375 210204661 /nfs/dbraw/zinc/20/46/61/210204661.db2.gz WWZYDCFSRMSVPG-UHFFFAOYSA-N 1 2 377.879 4.884 50 0 GJAALO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000015880246 210178579 /nfs/dbraw/zinc/17/85/79/210178579.db2.gz KTXRAVPZBALQNG-UHFFFAOYSA-N 1 2 395.553 4.676 50 0 GJAALO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000015880246 210178573 /nfs/dbraw/zinc/17/85/73/210178573.db2.gz KTXRAVPZBALQNG-UHFFFAOYSA-N 1 2 395.553 4.676 50 0 GJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(F)cc(F)c1 ZINC000012997822 210044635 /nfs/dbraw/zinc/04/46/35/210044635.db2.gz LBHVUICTOHMCQU-LJQANCHMSA-N 1 2 390.480 4.674 50 0 GJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(F)cc(F)c1 ZINC000012997822 210044640 /nfs/dbraw/zinc/04/46/40/210044640.db2.gz LBHVUICTOHMCQU-LJQANCHMSA-N 1 2 390.480 4.674 50 0 GJAALO CCN(C(=O)c1cccc(OCc2cn3cccc(C)c3[nH+]2)c1)c1ccccc1 ZINC000012822661 210016692 /nfs/dbraw/zinc/01/66/92/210016692.db2.gz FIFPURDUULZDOL-UHFFFAOYSA-N 1 2 385.467 4.888 50 0 GJAALO CC(=O)c1ccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000010393025 209339043 /nfs/dbraw/zinc/33/90/43/209339043.db2.gz NJFFDLGIIGCJNI-UHFFFAOYSA-N 1 2 399.450 4.677 50 0 GJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004355035 204040248 /nfs/dbraw/zinc/04/02/48/204040248.db2.gz WDMWVLXSQSVCCT-UHFFFAOYSA-N 1 2 383.499 4.583 50 0 GJAALO COc1cc2c(cc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1)oc1ccccc12 ZINC000003588388 204013612 /nfs/dbraw/zinc/01/36/12/204013612.db2.gz DRXCLRYHDARBIP-UHFFFAOYSA-N 1 2 392.430 4.804 50 0 GJAALO COc1cc2c(cc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1)oc1ccccc12 ZINC000003588388 204013617 /nfs/dbraw/zinc/01/36/17/204013617.db2.gz DRXCLRYHDARBIP-UHFFFAOYSA-N 1 2 392.430 4.804 50 0 GJAALO COc1ccc(-c2cn3cc(-c4cccc(Br)c4)[nH+]c3n2C)cc1 ZINC000004678476 204062930 /nfs/dbraw/zinc/06/29/30/204062930.db2.gz NDCCAEKJFJAQAT-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C1CC1 ZINC000006723361 204196053 /nfs/dbraw/zinc/19/60/53/204196053.db2.gz AXMFNPHSVFWYLV-UHFFFAOYSA-N 1 2 383.854 4.529 50 0 GJAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007906671 204253972 /nfs/dbraw/zinc/25/39/72/204253972.db2.gz BQWVCIDLJXYXBS-MRXNPFEDSA-N 1 2 394.544 4.528 50 0 GJAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007906671 204253975 /nfs/dbraw/zinc/25/39/75/204253975.db2.gz BQWVCIDLJXYXBS-MRXNPFEDSA-N 1 2 394.544 4.528 50 0 GJAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000007927226 204254543 /nfs/dbraw/zinc/25/45/43/204254543.db2.gz PPGNNIRHIPOKTD-CQSZACIVSA-N 1 2 399.343 4.675 50 0 GJAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000007927226 204254549 /nfs/dbraw/zinc/25/45/49/204254549.db2.gz PPGNNIRHIPOKTD-CQSZACIVSA-N 1 2 399.343 4.675 50 0 GJAALO CCn1cc[nH+]c1CN(C)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012307273 204394333 /nfs/dbraw/zinc/39/43/33/204394333.db2.gz XLBUQQXYYIGMPT-FQEVSTJZSA-N 1 2 381.907 4.737 50 0 GJAALO Clc1cc(Cl)c2nnc(SCc3[nH+]ccn3Cc3ccccc3)n2c1 ZINC000012535445 204419195 /nfs/dbraw/zinc/41/91/95/204419195.db2.gz WHPPBRHMCLDXEY-UHFFFAOYSA-N 1 2 390.299 4.573 50 0 GJAALO Clc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347443 205013293 /nfs/dbraw/zinc/01/32/93/205013293.db2.gz WIJYWKUMYXNWMJ-QHCPKHFHSA-N 1 2 394.902 4.908 50 0 GJAALO Clc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347443 205013294 /nfs/dbraw/zinc/01/32/94/205013294.db2.gz WIJYWKUMYXNWMJ-QHCPKHFHSA-N 1 2 394.902 4.908 50 0 GJAALO COc1ccc(OC)c(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c1 ZINC000055100173 205143025 /nfs/dbraw/zinc/14/30/25/205143025.db2.gz GNRJXEPZAHUSIG-UHFFFAOYSA-N 1 2 397.496 4.533 50 0 GJAALO COc1ccc(OC)c(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c1 ZINC000055100173 205143028 /nfs/dbraw/zinc/14/30/28/205143028.db2.gz GNRJXEPZAHUSIG-UHFFFAOYSA-N 1 2 397.496 4.533 50 0 GJAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(Cl)cc1Cl ZINC000058356195 205173085 /nfs/dbraw/zinc/17/30/85/205173085.db2.gz HCTADDNTGGWHFH-UHFFFAOYSA-N 1 2 378.303 4.699 50 0 GJAALO Cc1cccn2cc(-c3ccc(NC(=O)c4cc(Br)c[nH]4)cc3)[nH+]c12 ZINC000060884713 205181641 /nfs/dbraw/zinc/18/16/41/205181641.db2.gz CDXNSRWAZBJMAG-UHFFFAOYSA-N 1 2 395.260 4.653 50 0 GJAALO CCc1nc(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)cs1 ZINC000065631966 205239897 /nfs/dbraw/zinc/23/98/97/205239897.db2.gz MAUOFBWOAMSHRT-UHFFFAOYSA-N 1 2 376.485 4.534 50 0 GJAALO CCc1nc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cc(C)[nH+]1 ZINC000067868451 205265202 /nfs/dbraw/zinc/26/52/02/205265202.db2.gz MISXVSKRJVJNKS-UHFFFAOYSA-N 1 2 395.890 4.772 50 0 GJAALO Cc1cc(N2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)[nH+]c2ccccc12 ZINC000072480812 205354678 /nfs/dbraw/zinc/35/46/78/205354678.db2.gz JLUONTHXDCMRHB-RUZDIDTESA-N 1 2 391.559 4.942 50 0 GJAALO CCOc1ccc(/C=C\C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000098053170 211377084 /nfs/dbraw/zinc/37/70/84/211377084.db2.gz YROBGBUGCFCOQH-KAMYIIQDSA-N 1 2 385.467 4.652 50 0 GJAALO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 ZINC000096007798 211294048 /nfs/dbraw/zinc/29/40/48/211294048.db2.gz RFLUEKIJEQCZBR-CQSZACIVSA-N 1 2 399.516 4.649 50 0 GJAALO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 ZINC000096007798 211294052 /nfs/dbraw/zinc/29/40/52/211294052.db2.gz RFLUEKIJEQCZBR-CQSZACIVSA-N 1 2 399.516 4.649 50 0 GJAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 ZINC000095530061 211274177 /nfs/dbraw/zinc/27/41/77/211274177.db2.gz BTGBNLCHGRNDES-CQSZACIVSA-N 1 2 395.881 4.564 50 0 GJAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)NCc1cccc2ccccc21 ZINC000090583521 211035587 /nfs/dbraw/zinc/03/55/87/211035587.db2.gz TWVISMRVDSPAFI-UHFFFAOYSA-N 1 2 384.483 4.593 50 0 GJAALO Cc1noc(C)c1C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067907951 211029164 /nfs/dbraw/zinc/02/91/64/211029164.db2.gz ASFKHMKNGSQHTQ-UHFFFAOYSA-N 1 2 384.863 4.712 50 0 GJAALO Cc1noc(C)c1C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067907951 211029166 /nfs/dbraw/zinc/02/91/66/211029166.db2.gz ASFKHMKNGSQHTQ-UHFFFAOYSA-N 1 2 384.863 4.712 50 0 GJAALO O=C(c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023308812 210438554 /nfs/dbraw/zinc/43/85/54/210438554.db2.gz JRIXAJQCMCQKLH-HSZRJFAPSA-N 1 2 390.914 4.887 50 0 GJAALO Cc1ccc(CNC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000021704916 210389553 /nfs/dbraw/zinc/38/95/53/210389553.db2.gz QJUVPKHIAHATLB-UHFFFAOYSA-N 1 2 384.483 4.978 50 0 GJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000021819352 210394664 /nfs/dbraw/zinc/39/46/64/210394664.db2.gz PBZATMMOEOQGOH-IBGZPJMESA-N 1 2 385.389 4.570 50 0 GJAALO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000020389588 210330570 /nfs/dbraw/zinc/33/05/70/210330570.db2.gz SYLYDKPGTKIFGG-HXUWFJFHSA-N 1 2 399.498 4.726 50 0 GJAALO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000020389593 210332293 /nfs/dbraw/zinc/33/22/93/210332293.db2.gz SYLYDKPGTKIFGG-FQEVSTJZSA-N 1 2 399.498 4.726 50 0 GJAALO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc(C)[nH+]2)cc1C ZINC000011663764 221120188 /nfs/dbraw/zinc/12/01/88/221120188.db2.gz CDHBQMIJAHBXMQ-XMMPIXPASA-N 1 2 386.499 4.664 50 0 GJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)c1 ZINC000057978272 136154178 /nfs/dbraw/zinc/15/41/78/136154178.db2.gz QQSMONWUAHVATJ-UHFFFAOYSA-N 1 2 393.434 4.744 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCc2ccccc2C1)N1CCCCC1 ZINC000067288125 136164635 /nfs/dbraw/zinc/16/46/35/136164635.db2.gz JDNSKNUTQRKISZ-UHFFFAOYSA-N 1 2 389.474 4.563 50 0 GJAALO Cc1cc(N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)[nH+]c2ccccc12 ZINC000077438047 136172141 /nfs/dbraw/zinc/17/21/41/136172141.db2.gz YQVVEIRLTIXYAT-UHFFFAOYSA-N 1 2 385.511 4.562 50 0 GJAALO COc1cc[nH+]cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000089484100 136175538 /nfs/dbraw/zinc/17/55/38/136175538.db2.gz GJKFNFDPSKJQTD-UHFFFAOYSA-N 1 2 377.469 4.722 50 0 GJAALO Fc1ccc2cc[nH+]c(N3CCO[C@@H](c4ccc(Br)cc4)C3)c2c1 ZINC000089780932 136175729 /nfs/dbraw/zinc/17/57/29/136175729.db2.gz YRMAHTUNPUKBTO-GOSISDBHSA-N 1 2 387.252 4.714 50 0 GJAALO CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccs1 ZINC000058202275 535052169 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C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000023907592 570374962 /nfs/dbraw/zinc/37/49/62/570374962.db2.gz IVZCABCKZRBUNT-HNNXBMFYSA-N 1 2 387.508 4.771 50 0 GJAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000023907592 570374964 /nfs/dbraw/zinc/37/49/64/570374964.db2.gz IVZCABCKZRBUNT-HNNXBMFYSA-N 1 2 387.508 4.771 50 0 GJAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000004952309 570381236 /nfs/dbraw/zinc/38/12/36/570381236.db2.gz ZJRFUZOOHJNRSO-UHFFFAOYSA-N 1 2 377.315 4.887 50 0 GJAALO CC(C)[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000025051014 570404075 /nfs/dbraw/zinc/40/40/75/570404075.db2.gz OTQGRPSQMCKTNU-UXHICEINSA-N 1 2 381.907 4.719 50 0 GJAALO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638069 570456802 /nfs/dbraw/zinc/45/68/02/570456802.db2.gz XLPFMEIKPBCSRS-UHFFFAOYSA-N 1 2 392.311 4.566 50 0 GJAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)[nH+]c2c1 ZINC000032960942 570531851 /nfs/dbraw/zinc/53/18/51/570531851.db2.gz XFNZBKOVSQEFKX-UHFFFAOYSA-N 1 2 399.450 4.638 50 0 GJAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)[nH]c2c1 ZINC000032960942 570531853 /nfs/dbraw/zinc/53/18/53/570531853.db2.gz XFNZBKOVSQEFKX-UHFFFAOYSA-N 1 2 399.450 4.638 50 0 GJAALO Cc1ccc2[nH]c(CCc3ccc(NC(=O)COc4cccc(C)c4)cc3)[nH+]c2c1 ZINC000032960979 570532414 /nfs/dbraw/zinc/53/24/14/570532414.db2.gz SZFJPPMBLSXDTG-UHFFFAOYSA-N 1 2 399.494 4.982 50 0 GJAALO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)COc4cccc(C)c4)cc3)[nH]c2c1 ZINC000032960979 570532416 /nfs/dbraw/zinc/53/24/16/570532416.db2.gz SZFJPPMBLSXDTG-UHFFFAOYSA-N 1 2 399.494 4.982 50 0 GJAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2nccs2)c1 ZINC000011814007 570583394 /nfs/dbraw/zinc/58/33/94/570583394.db2.gz BOXNODWNGALZBN-UHFFFAOYSA-N 1 2 390.512 4.636 50 0 GJAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2nccs2)c1 ZINC000011814007 570583396 /nfs/dbraw/zinc/58/33/96/570583396.db2.gz BOXNODWNGALZBN-UHFFFAOYSA-N 1 2 390.512 4.636 50 0 GJAALO Cn1c(CCc2ccccc2NC(=O)CCc2ccccc2)[nH+]c2ccccc21 ZINC000033019839 570645754 /nfs/dbraw/zinc/64/57/54/570645754.db2.gz RGWPJBFJSSJAMQ-UHFFFAOYSA-N 1 2 383.495 4.930 50 0 GJAALO Cc1ccc(C(C)C)c(OCc2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000049545911 570664351 /nfs/dbraw/zinc/66/43/51/570664351.db2.gz KKVYQNPBAGVLOX-UHFFFAOYSA-N 1 2 399.564 4.573 50 0 GJAALO CC(C)c1ccc(NC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)cc1 ZINC000033034597 570671069 /nfs/dbraw/zinc/67/10/69/570671069.db2.gz JHMHWDZBJPPUQA-UHFFFAOYSA-N 1 2 388.515 4.851 50 0 GJAALO CCOC(=O)c1cccc(Nc2c(C(=O)OCC)c[nH+]c3c(C)cc(C)cc23)c1 ZINC000000949072 570735603 /nfs/dbraw/zinc/73/56/03/570735603.db2.gz QBJWDIMHBADULF-UHFFFAOYSA-N 1 2 392.455 4.949 50 0 GJAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1Br ZINC000064984438 570757292 /nfs/dbraw/zinc/75/72/92/570757292.db2.gz PIPKZKRYRSIDRC-INIZCTEOSA-N 1 2 379.298 4.906 50 0 GJAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1Br ZINC000064984438 570757297 /nfs/dbraw/zinc/75/72/97/570757297.db2.gz PIPKZKRYRSIDRC-INIZCTEOSA-N 1 2 379.298 4.906 50 0 GJAALO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984451 570757357 /nfs/dbraw/zinc/75/73/57/570757357.db2.gz PRKHDIMSGSAKSX-INIZCTEOSA-N 1 2 379.298 4.906 50 0 GJAALO COc1ccc(Br)cc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984451 570757359 /nfs/dbraw/zinc/75/73/59/570757359.db2.gz PRKHDIMSGSAKSX-INIZCTEOSA-N 1 2 379.298 4.906 50 0 GJAALO CCCCn1c(SCc2cc(-c3ccco3)on2)nnc1[C@@H](CC)[NH+](C)C ZINC000032745310 570792682 /nfs/dbraw/zinc/79/26/82/570792682.db2.gz BTTJHCPWPHUSEC-OAHLLOKOSA-N 1 2 389.525 4.631 50 0 GJAALO CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2C1 ZINC000012520084 570826617 /nfs/dbraw/zinc/82/66/17/570826617.db2.gz FWOKDESNPOMTBB-OAHLLOKOSA-N 1 2 380.517 4.732 50 0 GJAALO C=C(c1ccccc1OCCOc1ccc(Br)cc1)n1cc[nH+]c1 ZINC000012529924 570833162 /nfs/dbraw/zinc/83/31/62/570833162.db2.gz WXCGWSZYPZWKDK-UHFFFAOYSA-N 1 2 385.261 4.622 50 0 GJAALO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012535483 570835783 /nfs/dbraw/zinc/83/57/83/570835783.db2.gz SVPQLBZFVWRDSO-QGZVFWFLSA-N 1 2 397.837 4.787 50 0 GJAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561234 570865640 /nfs/dbraw/zinc/86/56/40/570865640.db2.gz POISNOIWTTWLRO-INIZCTEOSA-N 1 2 394.544 4.528 50 0 GJAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561234 570865644 /nfs/dbraw/zinc/86/56/44/570865644.db2.gz POISNOIWTTWLRO-INIZCTEOSA-N 1 2 394.544 4.528 50 0 GJAALO Cc1[nH+]c2cc(NC(=O)C[C@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 ZINC000012596090 570884531 /nfs/dbraw/zinc/88/45/31/570884531.db2.gz IVCDMFOTNBLHFC-JOCHJYFZSA-N 1 2 397.434 4.574 50 0 GJAALO O=C(Cc1ccccc1Cl)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000015317886 570888957 /nfs/dbraw/zinc/88/89/57/570888957.db2.gz RHECNKCSSMYOTG-UHFFFAOYSA-N 1 2 397.931 4.536 50 0 GJAALO O=C(Cc1ccccc1Cl)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000015317886 570888958 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O=Cc1ccccc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035635857 570556857 /nfs/dbraw/zinc/55/68/57/570556857.db2.gz LBXJEXDRIISMSH-UHFFFAOYSA-N 1 2 392.449 4.689 50 0 GJAALO CN(C)c1ccc(C(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033019873 570645695 /nfs/dbraw/zinc/64/56/95/570645695.db2.gz FVXFDAPLYJIRHL-UHFFFAOYSA-N 1 2 384.483 4.666 50 0 GJAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)Cc3cccs3)ccc21 ZINC000033020555 570645993 /nfs/dbraw/zinc/64/59/93/570645993.db2.gz HTLZAYXQDZJYAX-UHFFFAOYSA-N 1 2 375.497 4.601 50 0 GJAALO Cc1cccc(OCC(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c1 ZINC000033020566 570646182 /nfs/dbraw/zinc/64/61/82/570646182.db2.gz MNMCEYHRWUGARQ-UHFFFAOYSA-N 1 2 399.494 4.684 50 0 GJAALO Cc1ccc(C2(c3noc(C[N@H+](C)CC[C@H]4CCCCO4)n3)CCCC2)cc1 ZINC000012385599 570650315 /nfs/dbraw/zinc/65/03/15/570650315.db2.gz DQHZWRJAAWYWKP-HXUWFJFHSA-N 1 2 383.536 4.629 50 0 GJAALO Cc1ccc(C2(c3noc(C[N@@H+](C)CC[C@H]4CCCCO4)n3)CCCC2)cc1 ZINC000012385599 570650317 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Cc1[nH+]cc(NC(=O)c2ccccc2F)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615950 570698137 /nfs/dbraw/zinc/69/81/37/570698137.db2.gz RPNCUWQBJZSNSZ-UHFFFAOYSA-N 1 2 396.422 4.835 50 0 GJAALO O=C1C[C@@H](c2ccccc2)N1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000060112572 570740471 /nfs/dbraw/zinc/74/04/71/570740471.db2.gz DERKASQXJSESQJ-IBGZPJMESA-N 1 2 375.299 4.889 50 0 GJAALO O=C1C[C@@H](c2ccccc2)N1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000060112572 570740474 /nfs/dbraw/zinc/74/04/74/570740474.db2.gz DERKASQXJSESQJ-IBGZPJMESA-N 1 2 375.299 4.889 50 0 GJAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1Br ZINC000064984439 570757226 /nfs/dbraw/zinc/75/72/26/570757226.db2.gz PIPKZKRYRSIDRC-MRXNPFEDSA-N 1 2 379.298 4.906 50 0 GJAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1Br ZINC000064984439 570757229 /nfs/dbraw/zinc/75/72/29/570757229.db2.gz PIPKZKRYRSIDRC-MRXNPFEDSA-N 1 2 379.298 4.906 50 0 GJAALO Cc1nc2ccccc2n1C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000005689546 570810978 /nfs/dbraw/zinc/81/09/78/570810978.db2.gz KQJKBBSLPJYJGJ-OFVILXPXSA-N 1 2 386.495 4.820 50 0 GJAALO Cc1[nH+]c2ccccc2n1C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000005689546 570810979 /nfs/dbraw/zinc/81/09/79/570810979.db2.gz KQJKBBSLPJYJGJ-OFVILXPXSA-N 1 2 386.495 4.820 50 0 GJAALO CCc1cccc(C)c1NC(=O)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106204 570811225 /nfs/dbraw/zinc/81/12/25/570811225.db2.gz ZMTIKUHBCTWCAM-UHFFFAOYSA-N 1 2 388.515 4.598 50 0 GJAALO COc1cccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3[nH+]2)c1 ZINC000004678193 570823820 /nfs/dbraw/zinc/82/38/20/570823820.db2.gz DJXMSTUDIXKFKF-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012548085 570849813 /nfs/dbraw/zinc/84/98/13/570849813.db2.gz CZFONVDTAFIPCU-LJQANCHMSA-N 1 2 397.478 4.796 50 0 GJAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3[nH]cc[nH+]3)c3ccccc3)o2)cc1 ZINC000012549886 570851613 /nfs/dbraw/zinc/85/16/13/570851613.db2.gz PLECVWDLMIKCIG-FQEVSTJZSA-N 1 2 399.450 4.586 50 0 GJAALO Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550138 570851678 /nfs/dbraw/zinc/85/16/78/570851678.db2.gz KQYMFTNNRUMXTE-SFHVURJKSA-N 1 2 377.488 4.560 50 0 GJAALO Cc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000033252144 570860473 /nfs/dbraw/zinc/86/04/73/570860473.db2.gz OCDGGQRWDJKWNF-UHFFFAOYSA-N 1 2 398.510 4.952 50 0 GJAALO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000170604681 570862138 /nfs/dbraw/zinc/86/21/38/570862138.db2.gz OEFRKLCZMSXWJO-QHCPKHFHSA-N 1 2 379.548 4.978 50 0 GJAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561233 570865691 /nfs/dbraw/zinc/86/56/91/570865691.db2.gz POISNOIWTTWLRO-MRXNPFEDSA-N 1 2 394.544 4.528 50 0 GJAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561233 570865694 /nfs/dbraw/zinc/86/56/94/570865694.db2.gz POISNOIWTTWLRO-MRXNPFEDSA-N 1 2 394.544 4.528 50 0 GJAALO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000170613652 570871028 /nfs/dbraw/zinc/87/10/28/570871028.db2.gz MYVZLMOTIKASCU-IRXDYDNUSA-N 1 2 393.453 4.507 50 0 GJAALO CCn1c(C)[nH+]c2cc(-c3nnc(-c4ccc(OC(C)C)c(OC)c4)o3)ccc21 ZINC000012595627 570884939 /nfs/dbraw/zinc/88/49/39/570884939.db2.gz NXNKLUKYQPKLCQ-UHFFFAOYSA-N 1 2 392.459 4.877 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000016382456 570924043 /nfs/dbraw/zinc/92/40/43/570924043.db2.gz UCEKIWXAKBHFIM-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000016382456 570924049 /nfs/dbraw/zinc/92/40/49/570924049.db2.gz UCEKIWXAKBHFIM-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO Cc1cccn2cc(COC(=O)c3c4ccccc4nc4c3C[C@@H](C)CC4)[nH+]c12 ZINC000012629373 570931613 /nfs/dbraw/zinc/93/16/13/570931613.db2.gz IODVWLLGFYOIGO-HNNXBMFYSA-N 1 2 385.467 4.673 50 0 GJAALO C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007737094 571028453 /nfs/dbraw/zinc/02/84/53/571028453.db2.gz JXLSUHXNKKZAAK-LJQANCHMSA-N 1 2 397.478 4.942 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016352217 210189673 /nfs/dbraw/zinc/18/96/73/210189673.db2.gz LHPSNPCQTITLFZ-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016352217 210189678 /nfs/dbraw/zinc/18/96/78/210189678.db2.gz LHPSNPCQTITLFZ-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO S=c1n(C[N@@H+]2CCC[C@@H]2c2cccs2)nc(-c2cccnc2)n1C1CC1 ZINC000014197103 210109718 /nfs/dbraw/zinc/10/97/18/210109718.db2.gz RILXYSRISKURDG-MRXNPFEDSA-N 1 2 383.546 4.667 50 0 GJAALO S=c1n(C[N@H+]2CCC[C@@H]2c2cccs2)nc(-c2cccnc2)n1C1CC1 ZINC000014197103 210109721 /nfs/dbraw/zinc/10/97/21/210109721.db2.gz RILXYSRISKURDG-MRXNPFEDSA-N 1 2 383.546 4.667 50 0 GJAALO C[N@H+](CN1C(=O)CC2(CCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197200 210108727 /nfs/dbraw/zinc/10/87/27/210108727.db2.gz JHPWJUPTUSZIIR-QFIPXVFZSA-N 1 2 394.490 4.514 50 0 GJAALO C[N@@H+](CN1C(=O)CC2(CCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197200 210108729 /nfs/dbraw/zinc/10/87/29/210108729.db2.gz JHPWJUPTUSZIIR-QFIPXVFZSA-N 1 2 394.490 4.514 50 0 GJAALO CCc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012927076 210032325 /nfs/dbraw/zinc/03/23/25/210032325.db2.gz BJUJZLBQMYYBCS-HSZRJFAPSA-N 1 2 376.525 4.897 50 0 GJAALO CCc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012927076 210032329 /nfs/dbraw/zinc/03/23/29/210032329.db2.gz BJUJZLBQMYYBCS-HSZRJFAPSA-N 1 2 376.525 4.897 50 0 GJAALO C[N@H+](Cn1nc2ccccn2c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012819828 210015447 /nfs/dbraw/zinc/01/54/47/210015447.db2.gz VTPBOOAKTTUWDF-FQEVSTJZSA-N 1 2 378.476 4.683 50 0 GJAALO C[N@@H+](Cn1nc2ccccn2c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012819828 210015451 /nfs/dbraw/zinc/01/54/51/210015451.db2.gz VTPBOOAKTTUWDF-FQEVSTJZSA-N 1 2 378.476 4.683 50 0 GJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000009573427 209835347 /nfs/dbraw/zinc/83/53/47/209835347.db2.gz UILXXYNKKIXXDU-UHFFFAOYSA-N 1 2 381.505 4.689 50 0 GJAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccc(Cl)cc2)c(C)c1 ZINC000004659361 209506267 /nfs/dbraw/zinc/50/62/67/209506267.db2.gz GVEANTZLLOOQTR-UHFFFAOYSA-N 1 2 377.879 4.740 50 0 GJAALO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000010226121 209322561 /nfs/dbraw/zinc/32/25/61/209322561.db2.gz OJQBBARAXJIIFP-KRWDZBQOSA-N 1 2 379.287 4.778 50 0 GJAALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000010226121 209322562 /nfs/dbraw/zinc/32/25/62/209322562.db2.gz OJQBBARAXJIIFP-KRWDZBQOSA-N 1 2 379.287 4.778 50 0 GJAALO CCn1c(C)cc2cc(NC(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)ccc21 ZINC000299791908 212039487 /nfs/dbraw/zinc/03/94/87/212039487.db2.gz DANDEPANFMKYRA-HXUWFJFHSA-N 1 2 379.508 4.643 50 0 GJAALO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004735129 204070747 /nfs/dbraw/zinc/07/07/47/204070747.db2.gz FJIPCZAQMYEHPY-UHFFFAOYSA-N 1 2 379.803 4.833 50 0 GJAALO Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)[nH+]c2ccccn21 ZINC000004733720 204071225 /nfs/dbraw/zinc/07/12/25/204071225.db2.gz MJCOHADBDGBZFS-UHFFFAOYSA-N 1 2 384.483 4.890 50 0 GJAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(Cc2ccco2)C(=O)C2CCCC2)c1 ZINC000006689119 204191279 /nfs/dbraw/zinc/19/12/79/204191279.db2.gz GZARSRUFLGWTBL-UHFFFAOYSA-N 1 2 391.515 4.860 50 0 GJAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000006689755 204191948 /nfs/dbraw/zinc/19/19/48/204191948.db2.gz CTZPGFPMRIIWOM-UHFFFAOYSA-N 1 2 380.319 4.633 50 0 GJAALO Cn1c2cccc3c2c(c(Nc2ccc([NH+](C)C)cc2)c1=O)-c1ccccc1C3=O ZINC000008687578 204282905 /nfs/dbraw/zinc/28/29/05/204282905.db2.gz DQQVRABDZANFQC-UHFFFAOYSA-N 1 2 395.462 4.560 50 0 GJAALO Clc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2ccccn2)cc1 ZINC000008745714 204287918 /nfs/dbraw/zinc/28/79/18/204287918.db2.gz CZJYCSCOMIQQIU-UHFFFAOYSA-N 1 2 399.951 4.594 50 0 GJAALO COc1ccc(C[N@H+](Cn2nc(-c3ccc(C)cc3)[nH]c2=S)C2CC2)cc1 ZINC000008148406 204263069 /nfs/dbraw/zinc/26/30/69/204263069.db2.gz HPCFBIDMXYIEDM-UHFFFAOYSA-N 1 2 380.517 4.547 50 0 GJAALO COc1ccc(C[N@@H+](Cn2nc(-c3ccc(C)cc3)[nH]c2=S)C2CC2)cc1 ZINC000008148406 204263073 /nfs/dbraw/zinc/26/30/73/204263073.db2.gz HPCFBIDMXYIEDM-UHFFFAOYSA-N 1 2 380.517 4.547 50 0 GJAALO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)[nH]n1 ZINC000012307197 204394134 /nfs/dbraw/zinc/39/41/34/204394134.db2.gz VBQFUDTWWMONIN-UHFFFAOYSA-N 1 2 377.536 4.798 50 0 GJAALO Cc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)[nH]n1 ZINC000012307197 204394139 /nfs/dbraw/zinc/39/41/39/204394139.db2.gz VBQFUDTWWMONIN-UHFFFAOYSA-N 1 2 377.536 4.798 50 0 GJAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)C2CC2)cc1 ZINC000036082690 205004534 /nfs/dbraw/zinc/00/45/34/205004534.db2.gz BNQBIONRYGEKCN-SFHVURJKSA-N 1 2 389.499 4.639 50 0 GJAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)C2CC2)cc1 ZINC000036082690 205004537 /nfs/dbraw/zinc/00/45/37/205004537.db2.gz BNQBIONRYGEKCN-SFHVURJKSA-N 1 2 389.499 4.639 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1F ZINC000037210491 205024401 /nfs/dbraw/zinc/02/44/01/205024401.db2.gz ATBWPTNYDGETEX-HXUWFJFHSA-N 1 2 386.517 4.843 50 0 GJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1F ZINC000037210491 205024404 /nfs/dbraw/zinc/02/44/04/205024404.db2.gz ATBWPTNYDGETEX-HXUWFJFHSA-N 1 2 386.517 4.843 50 0 GJAALO CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2cccs2)c1 ZINC000057572433 205159056 /nfs/dbraw/zinc/15/90/56/205159056.db2.gz VQNIRJWNGZRBGN-OAQYLSRUSA-N 1 2 378.497 4.763 50 0 GJAALO CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2cccs2)c1 ZINC000057572433 205159059 /nfs/dbraw/zinc/15/90/59/205159059.db2.gz VQNIRJWNGZRBGN-OAQYLSRUSA-N 1 2 378.497 4.763 50 0 GJAALO CCc1ccc(C[N@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447614 205149651 /nfs/dbraw/zinc/14/96/51/205149651.db2.gz LYHJEACKGZESEW-XMMPIXPASA-N 1 2 397.526 4.755 50 0 GJAALO CCc1ccc(C[N@@H+](C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447614 205149656 /nfs/dbraw/zinc/14/96/56/205149656.db2.gz LYHJEACKGZESEW-XMMPIXPASA-N 1 2 397.526 4.755 50 0 GJAALO CCn1c(=S)n(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)nc1-c1ccco1 ZINC000058158694 205165597 /nfs/dbraw/zinc/16/55/97/205165597.db2.gz PJTWPTOOHHJOOF-GOSISDBHSA-N 1 2 382.533 4.749 50 0 GJAALO CCn1c(=S)n(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)nc1-c1ccco1 ZINC000058158694 205165600 /nfs/dbraw/zinc/16/56/00/205165600.db2.gz PJTWPTOOHHJOOF-GOSISDBHSA-N 1 2 382.533 4.749 50 0 GJAALO CCOc1ccccc1CNc1c(C(=O)N2CCCC2)c[nH+]c2ccc(F)cc21 ZINC000067288214 205243771 /nfs/dbraw/zinc/24/37/71/205243771.db2.gz KQANNTCDHGNEID-UHFFFAOYSA-N 1 2 393.462 4.621 50 0 GJAALO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092936 205303863 /nfs/dbraw/zinc/30/38/63/205303863.db2.gz AMOOTJWXORQICT-GOSISDBHSA-N 1 2 397.277 4.535 50 0 GJAALO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092936 205303867 /nfs/dbraw/zinc/30/38/67/205303867.db2.gz AMOOTJWXORQICT-GOSISDBHSA-N 1 2 397.277 4.535 50 0 GJAALO O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069538000 205277287 /nfs/dbraw/zinc/27/72/87/205277287.db2.gz PXOUMQFSSIWRED-XMMPIXPASA-N 1 2 381.479 4.645 50 0 GJAALO Cc1cccn2cc(-c3ccccc3NC(=O)c3cc(=O)c4ccccc4o3)[nH+]c12 ZINC000206901579 205865695 /nfs/dbraw/zinc/86/56/95/205865695.db2.gz FDROGAOPKXHTGN-UHFFFAOYSA-N 1 2 395.418 4.668 50 0 GJAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000032851018 206091989 /nfs/dbraw/zinc/09/19/89/206091989.db2.gz MXZBJCBOEBXBCH-JOCHJYFZSA-N 1 2 378.447 4.646 50 0 GJAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000032851018 206091992 /nfs/dbraw/zinc/09/19/92/206091992.db2.gz MXZBJCBOEBXBCH-JOCHJYFZSA-N 1 2 378.447 4.646 50 0 GJAALO O=C(CC1CCCCC1)NCCn1c2ccccc2[nH+]c1CCc1ccccc1 ZINC000096320571 211333449 /nfs/dbraw/zinc/33/34/49/211333449.db2.gz ICSINTVETJDHBK-UHFFFAOYSA-N 1 2 389.543 4.908 50 0 GJAALO Clc1cccc(-c2nc3c(c(N4CCC[C@H]4c4[nH]cc[nH+]4)n2)CCCC3)c1 ZINC000095467585 211245630 /nfs/dbraw/zinc/24/56/30/211245630.db2.gz PTBWAMTXTNJUPL-SFHVURJKSA-N 1 2 379.895 4.740 50 0 GJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000067841485 211024341 /nfs/dbraw/zinc/02/43/41/211024341.db2.gz AEOSYYMHDNFWHI-UHFFFAOYSA-N 1 2 384.838 4.641 50 0 GJAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000067841485 211024345 /nfs/dbraw/zinc/02/43/45/211024345.db2.gz AEOSYYMHDNFWHI-UHFFFAOYSA-N 1 2 384.838 4.641 50 0 GJAALO Cc1ccc(CC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000033261454 210634401 /nfs/dbraw/zinc/63/44/01/210634401.db2.gz IADVFOAEPINJCQ-UHFFFAOYSA-N 1 2 383.495 4.848 50 0 GJAALO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)[NH+]2CCOCC2)c1C ZINC000020192384 210321305 /nfs/dbraw/zinc/32/13/05/210321305.db2.gz AUAJXLSDIXCUHX-HXUWFJFHSA-N 1 2 396.512 4.632 50 0 GJAALO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1NCc1ccc(F)cc1 ZINC000020103854 210315875 /nfs/dbraw/zinc/31/58/75/210315875.db2.gz RXAVJEFMBGHSDR-UHFFFAOYSA-N 1 2 388.826 4.825 50 0 GJAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019841744 210303335 /nfs/dbraw/zinc/30/33/35/210303335.db2.gz BPSNNLFHMIYDND-UHFFFAOYSA-N 1 2 390.914 4.965 50 0 GJAALO C[NH+](C)c1ccc(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 ZINC000009421616 221079861 /nfs/dbraw/zinc/07/98/61/221079861.db2.gz SEWSIXZFPXYKIZ-UHFFFAOYSA-N 1 2 398.462 4.883 50 0 biogenic GJAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)c1 ZINC000000948018 570231079 /nfs/dbraw/zinc/23/10/79/570231079.db2.gz WAIHJRBUPCSQBU-UHFFFAOYSA-N 1 2 383.499 4.583 50 0 GJAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000001033514 570236210 /nfs/dbraw/zinc/23/62/10/570236210.db2.gz NSDIBAFLGBXFRX-UHFFFAOYSA-N 1 2 385.316 4.785 50 0 GJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000055069445 570274349 /nfs/dbraw/zinc/27/43/49/570274349.db2.gz MWKIJVNPSWEFCJ-UHFFFAOYSA-N 1 2 399.254 4.790 50 0 GJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000010764036 570292416 /nfs/dbraw/zinc/29/24/16/570292416.db2.gz WTRSMOKEMRXUFG-KRWDZBQOSA-N 1 2 392.524 4.712 50 0 GJAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCc2sccc2C1 ZINC000010764036 570292419 /nfs/dbraw/zinc/29/24/19/570292419.db2.gz WTRSMOKEMRXUFG-KRWDZBQOSA-N 1 2 392.524 4.712 50 0 GJAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720035 570294929 /nfs/dbraw/zinc/29/49/29/570294929.db2.gz ALZXTIOFUVRNQL-LJQANCHMSA-N 1 2 396.491 4.542 50 0 GJAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720035 570294930 /nfs/dbraw/zinc/29/49/30/570294930.db2.gz ALZXTIOFUVRNQL-LJQANCHMSA-N 1 2 396.491 4.542 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000022750095 570325895 /nfs/dbraw/zinc/32/58/95/570325895.db2.gz COTGUHPMGVOYRI-KRWDZBQOSA-N 1 2 381.888 4.808 50 0 GJAALO CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906537 570338959 /nfs/dbraw/zinc/33/89/59/570338959.db2.gz KUCQMQJZLSMLMR-UYAOXDASSA-N 1 2 396.579 4.748 50 0 GJAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2ccccc2F)cc1 ZINC000024761650 570392343 /nfs/dbraw/zinc/39/23/43/570392343.db2.gz CMMZTIJHQIWVCQ-UHFFFAOYSA-N 1 2 396.466 4.545 50 0 GJAALO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000024927532 570398883 /nfs/dbraw/zinc/39/88/83/570398883.db2.gz UQBCXUPBZTWSOB-UHFFFAOYSA-N 1 2 391.500 4.940 50 0 GJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 ZINC000004739337 570400764 /nfs/dbraw/zinc/40/07/64/570400764.db2.gz GICJOMSLBBBAOH-UHFFFAOYSA-N 1 2 399.498 4.827 50 0 GJAALO Brc1ccccc1-c1nnc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000027108393 570431935 /nfs/dbraw/zinc/43/19/35/570431935.db2.gz SIWGQMKONMLOTH-UHFFFAOYSA-N 1 2 390.306 4.725 50 0 GJAALO Brc1ccccc1-c1nnc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000027108393 570431936 /nfs/dbraw/zinc/43/19/36/570431936.db2.gz SIWGQMKONMLOTH-UHFFFAOYSA-N 1 2 390.306 4.725 50 0 GJAALO Cc1cc(C)cc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000032953841 570434227 /nfs/dbraw/zinc/43/42/27/570434227.db2.gz HTAXOQMDJZANSA-UHFFFAOYSA-N 1 2 390.487 4.641 50 0 GJAALO CC1CCN(C(=O)c2cc(Nc3ccc([NH+](C)C)cc3)c3ccccc3n2)CC1 ZINC000064568414 570483590 /nfs/dbraw/zinc/48/35/90/570483590.db2.gz KZLFUCWLDRZQJF-UHFFFAOYSA-N 1 2 388.515 4.917 50 0 GJAALO CCOc1ccccc1C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960670 570532049 /nfs/dbraw/zinc/53/20/49/570532049.db2.gz SFYTYKDVOYSBRI-UHFFFAOYSA-N 1 2 385.467 4.999 50 0 GJAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1OC ZINC000005266547 570533993 /nfs/dbraw/zinc/53/39/93/570533993.db2.gz ZHUURKZDLZCTCO-UHFFFAOYSA-N 1 2 386.883 4.549 50 0 GJAALO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022777245 570545018 /nfs/dbraw/zinc/54/50/18/570545018.db2.gz PSFRJIUGPQWFCW-KRWDZBQOSA-N 1 2 396.922 4.577 50 0 GJAALO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022777245 570545019 /nfs/dbraw/zinc/54/50/19/570545019.db2.gz PSFRJIUGPQWFCW-KRWDZBQOSA-N 1 2 396.922 4.577 50 0 GJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000034858988 570545339 /nfs/dbraw/zinc/54/53/39/570545339.db2.gz KILPSXUISLGTKP-DEOSSOPVSA-N 1 2 386.495 4.742 50 0 GJAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000034858988 570545344 /nfs/dbraw/zinc/54/53/44/570545344.db2.gz KILPSXUISLGTKP-DEOSSOPVSA-N 1 2 386.495 4.742 50 0 GJAALO COc1cccc(Nc2c(-c3ccc(OC)c(O)c3)[nH+]c3ccc(C)cn32)c1 ZINC000035616164 570556283 /nfs/dbraw/zinc/55/62/83/570556283.db2.gz XJTDJUXCZJJNKA-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO Cc1cc([C@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038546992 570580968 /nfs/dbraw/zinc/58/09/68/570580968.db2.gz PDPCMSRUZREDBM-LJQANCHMSA-N 1 2 390.468 4.893 50 0 GJAALO Cc1cccc(OC2CC[NH+](Cc3nc(Cc4ccccc4Cl)no3)CC2)c1 ZINC000011814229 570583351 /nfs/dbraw/zinc/58/33/51/570583351.db2.gz VXMXAHIFPMTQQV-UHFFFAOYSA-N 1 2 397.906 4.666 50 0 GJAALO COc1ccc(OC)c([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2OC)c1 ZINC000036347987 570630219 /nfs/dbraw/zinc/63/02/19/570630219.db2.gz OCENZXHRUVOXRX-XMMPIXPASA-N 1 2 392.499 4.509 50 0 GJAALO COc1ccc(OC)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2OC)c1 ZINC000036347987 570630220 /nfs/dbraw/zinc/63/02/20/570630220.db2.gz OCENZXHRUVOXRX-XMMPIXPASA-N 1 2 392.499 4.509 50 0 GJAALO COc1cccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)c1 ZINC000033020488 570646064 /nfs/dbraw/zinc/64/60/64/570646064.db2.gz AWDHVVMJGWPLLL-UHFFFAOYSA-N 1 2 385.467 4.619 50 0 GJAALO Cc1occc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000012372512 570648140 /nfs/dbraw/zinc/64/81/40/570648140.db2.gz KQDKUQVZABNEAJ-JOCHJYFZSA-N 1 2 394.902 4.789 50 0 GJAALO COc1ccccc1[C@H](C)[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012439379 570663562 /nfs/dbraw/zinc/66/35/62/570663562.db2.gz PSZYRADECBJLIM-ZDUSSCGKSA-N 1 2 391.393 4.957 50 0 GJAALO COc1ccccc1[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012439379 570663563 /nfs/dbraw/zinc/66/35/63/570663563.db2.gz PSZYRADECBJLIM-ZDUSSCGKSA-N 1 2 391.393 4.957 50 0 GJAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2ccon2)c(C)s1 ZINC000012583761 570684425 /nfs/dbraw/zinc/68/44/25/570684425.db2.gz ISHLWRHFXMIHON-UHFFFAOYSA-N 1 2 396.491 4.977 50 0 GJAALO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2ccon2)c(C)s1 ZINC000012583761 570684428 /nfs/dbraw/zinc/68/44/28/570684428.db2.gz ISHLWRHFXMIHON-UHFFFAOYSA-N 1 2 396.491 4.977 50 0 GJAALO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)c1 ZINC000055292120 570690160 /nfs/dbraw/zinc/69/01/60/570690160.db2.gz FHFXLTACXPBRHZ-UHFFFAOYSA-N 1 2 377.301 4.527 50 0 GJAALO c1csc(C[N@H+](Cc2ccccc2)Cc2cccc(Oc3ncccn3)c2)n1 ZINC000055325585 570691206 /nfs/dbraw/zinc/69/12/06/570691206.db2.gz QEEMACYQXOJSJK-UHFFFAOYSA-N 1 2 388.496 4.928 50 0 GJAALO c1csc(C[N@@H+](Cc2ccccc2)Cc2cccc(Oc3ncccn3)c2)n1 ZINC000055325585 570691209 /nfs/dbraw/zinc/69/12/09/570691209.db2.gz QEEMACYQXOJSJK-UHFFFAOYSA-N 1 2 388.496 4.928 50 0 GJAALO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055325861 570691394 /nfs/dbraw/zinc/69/13/94/570691394.db2.gz VHDVGURKZJSQNA-UHFFFAOYSA-N 1 2 381.907 4.934 50 0 GJAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C)cc4C)CC3)c(C)o2)cc1 ZINC000055576101 570697937 /nfs/dbraw/zinc/69/79/37/570697937.db2.gz GRSOKLLFVJMYHC-UHFFFAOYSA-N 1 2 391.515 4.598 50 0 GJAALO CCC(CC)C(=O)Nc1ccc(Nc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000017268975 570703034 /nfs/dbraw/zinc/70/30/34/570703034.db2.gz HXZJDSJHUORTCH-UHFFFAOYSA-N 1 2 381.524 4.894 50 0 GJAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cs1 ZINC000012757163 570710143 /nfs/dbraw/zinc/71/01/43/570710143.db2.gz LLTIHWFBDPVCSI-LJQANCHMSA-N 1 2 385.529 4.833 50 0 GJAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cs1 ZINC000012757163 570710146 /nfs/dbraw/zinc/71/01/46/570710146.db2.gz LLTIHWFBDPVCSI-LJQANCHMSA-N 1 2 385.529 4.833 50 0 GJAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000949063 570735148 /nfs/dbraw/zinc/73/51/48/570735148.db2.gz VWCARDDFVLSSEC-UHFFFAOYSA-N 1 2 378.428 4.543 50 0 GJAALO CCCc1noc([C@@H](C)[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)n1 ZINC000059577768 570738866 /nfs/dbraw/zinc/73/88/66/570738866.db2.gz TZECHWAKOYBUPZ-CQSZACIVSA-N 1 2 385.430 4.773 50 0 GJAALO CCCc1noc([C@@H](C)[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)n1 ZINC000059577768 570738868 /nfs/dbraw/zinc/73/88/68/570738868.db2.gz TZECHWAKOYBUPZ-CQSZACIVSA-N 1 2 385.430 4.773 50 0 GJAALO Cc1ccccc1C(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C ZINC000065260136 570762345 /nfs/dbraw/zinc/76/23/45/570762345.db2.gz UJMWXCLSYHKAHI-XMMPIXPASA-N 1 2 390.531 4.514 50 0 GJAALO COCc1nc(C)c(Cn2c[nH+]c(-c3ccccc3)c2C[C@H](C)SC)s1 ZINC000065386651 570763899 /nfs/dbraw/zinc/76/38/99/570763899.db2.gz PNOCOIWXVNSVJP-AWEZNQCLSA-N 1 2 387.574 4.804 50 0 GJAALO COc1ccc(Cl)cc1CN[C@@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000170072131 570801350 /nfs/dbraw/zinc/80/13/50/570801350.db2.gz XCOSFTUTAVKCPV-GOSISDBHSA-N 1 2 376.287 4.615 50 0 GJAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)COc3ccc(F)cc3)cc12 ZINC000033084568 570806153 /nfs/dbraw/zinc/80/61/53/570806153.db2.gz XHKUHZSFVPAPJF-UHFFFAOYSA-N 1 2 393.462 4.690 50 0 GJAALO c1coc(-c2nnc(SCc3cn4ccccc4[nH+]3)n2C2CCCCC2)c1 ZINC000004492688 570809970 /nfs/dbraw/zinc/80/99/70/570809970.db2.gz OSZQFNCTLPEEKR-UHFFFAOYSA-N 1 2 379.489 4.983 50 0 GJAALO O=C(NCCc1ccccc1)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033126379 570819203 /nfs/dbraw/zinc/81/92/03/570819203.db2.gz BFFHPBWWECMBMK-UHFFFAOYSA-N 1 2 384.483 4.712 50 0 GJAALO CSc1ccc(C[N@H+](C)Cn2ncn(-c3cc(C)ccc3C)c2=S)cc1 ZINC000012516813 570826133 /nfs/dbraw/zinc/82/61/33/570826133.db2.gz QQNCMDHUYNATAP-UHFFFAOYSA-N 1 2 384.574 4.832 50 0 GJAALO CSc1ccc(C[N@@H+](C)Cn2ncn(-c3cc(C)ccc3C)c2=S)cc1 ZINC000012516813 570826135 /nfs/dbraw/zinc/82/61/35/570826135.db2.gz QQNCMDHUYNATAP-UHFFFAOYSA-N 1 2 384.574 4.832 50 0 GJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)Cc2ccc(Cl)cc2)o1 ZINC000007444550 570844343 /nfs/dbraw/zinc/84/43/43/570844343.db2.gz LJCIYBYYECBTKJ-UHFFFAOYSA-N 1 2 394.862 4.985 50 0 GJAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)Cc2ccc(Cl)cc2)o1 ZINC000007444550 570844344 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Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000033287244 570955439 /nfs/dbraw/zinc/95/54/39/570955439.db2.gz ZZCWOGDZTIIUPZ-UHFFFAOYSA-N 1 2 391.540 4.650 50 0 GJAALO Cc1cc2[nH+]cn(C[C@H](O)CSc3ncc(-c4ccc(F)cc4)o3)c2cc1C ZINC000084129028 571001222 /nfs/dbraw/zinc/00/12/22/571001222.db2.gz LZQYSQWAOGURIW-KRWDZBQOSA-N 1 2 397.475 4.600 50 0 GJAALO c1nc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)oc1-c1ccccc1 ZINC000007777926 571035811 /nfs/dbraw/zinc/03/58/11/571035811.db2.gz PANLFRTZOIXXJT-UHFFFAOYSA-N 1 2 385.452 4.763 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000011439893 571046088 /nfs/dbraw/zinc/04/60/88/571046088.db2.gz TYKWCOVVFUQGMO-LJQANCHMSA-N 1 2 382.435 4.835 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000011439893 571046089 /nfs/dbraw/zinc/04/60/89/571046089.db2.gz TYKWCOVVFUQGMO-LJQANCHMSA-N 1 2 382.435 4.835 50 0 GJAALO CCC[C@@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1[nH+]ccn1C ZINC000095525136 571089995 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COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007718684 204247979 /nfs/dbraw/zinc/24/79/79/204247979.db2.gz HMGMZIMNUUNTFO-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007718684 204247983 /nfs/dbraw/zinc/24/79/83/204247983.db2.gz HMGMZIMNUUNTFO-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c(F)c1 ZINC000011844178 204356828 /nfs/dbraw/zinc/35/68/28/204356828.db2.gz STWUWHGLKIFYMZ-NRFANRHFSA-N 1 2 381.451 4.920 50 0 GJAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3ccccn3)c(C)o2)c(F)c1 ZINC000011844178 204356831 /nfs/dbraw/zinc/35/68/31/204356831.db2.gz STWUWHGLKIFYMZ-NRFANRHFSA-N 1 2 381.451 4.920 50 0 GJAALO CC(C)[N@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036082970 205003572 /nfs/dbraw/zinc/00/35/72/205003572.db2.gz VVBIIRHYWIGRQD-KRWDZBQOSA-N 1 2 395.478 4.715 50 0 GJAALO CC(C)[N@@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036082970 205003576 /nfs/dbraw/zinc/00/35/76/205003576.db2.gz VVBIIRHYWIGRQD-KRWDZBQOSA-N 1 2 395.478 4.715 50 0 GJAALO CCCN(C)C(=O)[C@@H](C)n1c2cc(C)c(C)cc2[nH+]c1Cc1ccc(F)cc1 ZINC000037397380 205026219 /nfs/dbraw/zinc/02/62/19/205026219.db2.gz GEFRCBUNLSGFKX-QGZVFWFLSA-N 1 2 381.495 4.812 50 0 GJAALO FC(F)(F)c1nnc(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)o1 ZINC000077198037 205034466 /nfs/dbraw/zinc/03/44/66/205034466.db2.gz NICDADVLNUHQTJ-UHFFFAOYSA-N 1 2 394.422 4.592 50 0 GJAALO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(OC)ccc1F)[NH2+]C2 ZINC000055028093 205140673 /nfs/dbraw/zinc/14/06/73/205140673.db2.gz FCBRLORQVUWBRL-HSZRJFAPSA-N 1 2 396.462 4.615 50 0 GJAALO O=C(NCCc1ccc2c(c1)C[N@H+](C1CCCCC1)CO2)c1ccc(Cl)cc1 ZINC000057108448 205154137 /nfs/dbraw/zinc/15/41/37/205154137.db2.gz OQRSCBCFEWTQBC-UHFFFAOYSA-N 1 2 398.934 4.797 50 0 GJAALO O=C(NCCc1ccc2c(c1)C[N@@H+](C1CCCCC1)CO2)c1ccc(Cl)cc1 ZINC000057108448 205154141 /nfs/dbraw/zinc/15/41/41/205154141.db2.gz OQRSCBCFEWTQBC-UHFFFAOYSA-N 1 2 398.934 4.797 50 0 GJAALO Cc1cc(C)cc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c1 ZINC000064471756 205190601 /nfs/dbraw/zinc/19/06/01/205190601.db2.gz QJXMFGYNRDMRJI-UHFFFAOYSA-N 1 2 377.513 4.784 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCCC1 ZINC000067288247 205243419 /nfs/dbraw/zinc/24/34/19/205243419.db2.gz MBXRBUYZUSPKCI-UHFFFAOYSA-N 1 2 383.854 4.875 50 0 GJAALO C[C@@H](c1nc(-c2cccnc2)no1)n1cc[nH+]c1-c1ccccc1-c1ccco1 ZINC000071765214 205294474 /nfs/dbraw/zinc/29/44/74/205294474.db2.gz KYUQKWFZFRFZBP-HNNXBMFYSA-N 1 2 383.411 4.864 50 0 GJAALO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Br)cc1 ZINC000014670826 211706454 /nfs/dbraw/zinc/70/64/54/211706454.db2.gz AUMIZNNUFKWVCM-UHFFFAOYSA-N 1 2 392.684 4.785 50 0 GJAALO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Br)cc1 ZINC000014670826 211706458 /nfs/dbraw/zinc/70/64/58/211706458.db2.gz AUMIZNNUFKWVCM-UHFFFAOYSA-N 1 2 392.684 4.785 50 0 GJAALO O=C(COc1ccc(Cl)cc1)N(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000096102992 206115948 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2 386.499 4.671 50 0 GJAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000020513612 210343145 /nfs/dbraw/zinc/34/31/45/210343145.db2.gz VSWBCVLNKXGGDX-CQSZACIVSA-N 1 2 376.497 4.509 50 0 GJAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000020513612 210343148 /nfs/dbraw/zinc/34/31/48/210343148.db2.gz VSWBCVLNKXGGDX-CQSZACIVSA-N 1 2 376.497 4.509 50 0 GJAALO CSc1nc2sc3c(c2c(SCCc2ccccc2)n1)CC[N@H+](C)C3 ZINC000020357807 210328663 /nfs/dbraw/zinc/32/86/63/210328663.db2.gz IKOJBPLWEMPEOM-UHFFFAOYSA-N 1 2 387.599 4.736 50 0 GJAALO CSc1nc2sc3c(c2c(SCCc2ccccc2)n1)CC[N@@H+](C)C3 ZINC000020357807 210328657 /nfs/dbraw/zinc/32/86/57/210328657.db2.gz IKOJBPLWEMPEOM-UHFFFAOYSA-N 1 2 387.599 4.736 50 0 GJAALO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)s1 ZINC000020212072 210321259 /nfs/dbraw/zinc/32/12/59/210321259.db2.gz LEWIVBCGOMJWPB-ZDUSSCGKSA-N 1 2 398.359 4.611 50 0 GJAALO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)s1 ZINC000020212072 210321264 /nfs/dbraw/zinc/32/12/64/210321264.db2.gz LEWIVBCGOMJWPB-ZDUSSCGKSA-N 1 2 398.359 4.611 50 0 GJAALO CCn1cc[nH+]c1CN(C)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011932990 221137592 /nfs/dbraw/zinc/13/75/92/221137592.db2.gz DBWARSPHBMXJPX-HXUWFJFHSA-N 1 2 381.907 4.737 50 0 GJAALO Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc2ccccc12 ZINC000095503752 136180220 /nfs/dbraw/zinc/18/02/20/136180220.db2.gz WCWXFODTNITHTI-IBGZPJMESA-N 1 2 383.499 4.567 50 0 GJAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3C)C2)nc[nH+]1 ZINC000065242365 535193089 /nfs/dbraw/zinc/19/30/89/535193089.db2.gz WNDRIMUEJNTBFX-IBGZPJMESA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3C)C2)[nH+]cn1 ZINC000065242365 535193092 /nfs/dbraw/zinc/19/30/92/535193092.db2.gz WNDRIMUEJNTBFX-IBGZPJMESA-N 1 2 395.551 4.551 50 0 GJAALO CC[NH+](CC)c1ccc(Nc2nc(-c3c(C)nc4ncccn43)cs2)cc1 ZINC000000753703 570222121 /nfs/dbraw/zinc/22/21/21/570222121.db2.gz PKKMYDAKWTWALG-UHFFFAOYSA-N 1 2 378.505 4.751 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048262173 570224510 /nfs/dbraw/zinc/22/45/10/570224510.db2.gz QEPHTPDDAHXGMT-HXUWFJFHSA-N 1 2 382.435 4.835 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048262173 570224513 /nfs/dbraw/zinc/22/45/13/570224513.db2.gz QEPHTPDDAHXGMT-HXUWFJFHSA-N 1 2 382.435 4.835 50 0 GJAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000023309265 570234304 /nfs/dbraw/zinc/23/43/04/570234304.db2.gz MYJUMFCIULZQJL-DEOSSOPVSA-N 1 2 388.486 4.682 50 0 GJAALO COc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1OCc1cccc(F)c1 ZINC000097572196 570246664 /nfs/dbraw/zinc/24/66/64/570246664.db2.gz VXTWVRDQQADKIQ-UHFFFAOYSA-N 1 2 384.451 4.650 50 0 GJAALO COc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1OCc1cccc(F)c1 ZINC000097572196 570246670 /nfs/dbraw/zinc/24/66/70/570246670.db2.gz VXTWVRDQQADKIQ-UHFFFAOYSA-N 1 2 384.451 4.650 50 0 GJAALO CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000020662146 570274504 /nfs/dbraw/zinc/27/45/04/570274504.db2.gz SMSYGBLMGBDMQI-UHFFFAOYSA-N 1 2 377.879 4.804 50 0 GJAALO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000022130802 570306061 /nfs/dbraw/zinc/30/60/61/570306061.db2.gz FFNJNQRJGGLANL-QHCPKHFHSA-N 1 2 384.435 4.610 50 0 GJAALO CCOc1ccccc1N1CC[NH+](Cn2c3ccccc3sc2=S)CC1 ZINC000023479633 570363618 /nfs/dbraw/zinc/36/36/18/570363618.db2.gz ULSXVEBPKSXSHG-UHFFFAOYSA-N 1 2 385.558 4.611 50 0 GJAALO O=C(COc1ccccc1Cl)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575621590 570369992 /nfs/dbraw/zinc/36/99/92/570369992.db2.gz ZCRAEKCCEMLZKE-UHFFFAOYSA-N 1 2 381.863 4.557 50 0 GJAALO Cc1ccc(CNC(=S)Nc2ccc3[nH+]c(N4CCCC4)cc(C)c3c2)cc1 ZINC000004969790 570384683 /nfs/dbraw/zinc/38/46/83/570384683.db2.gz LRINXDKGAKRQCX-UHFFFAOYSA-N 1 2 390.556 4.938 50 0 GJAALO Cc1cccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1C ZINC000032953833 570398953 /nfs/dbraw/zinc/39/89/53/570398953.db2.gz LKXCUAKDXZNPQY-UHFFFAOYSA-N 1 2 390.487 4.641 50 0 GJAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 ZINC000032953831 570433929 /nfs/dbraw/zinc/43/39/29/570433929.db2.gz LLZPRMAITVTKRN-UHFFFAOYSA-N 1 2 396.878 4.677 50 0 GJAALO Fc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(Cl)c2)C3)c(F)c1 ZINC000033048676 570519006 /nfs/dbraw/zinc/51/90/06/570519006.db2.gz UVHHPERDSAHLQS-UHFFFAOYSA-N 1 2 386.833 4.710 50 0 GJAALO Fc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(Cl)c2)C3)c(F)c1 ZINC000033048676 570519011 /nfs/dbraw/zinc/51/90/11/570519011.db2.gz UVHHPERDSAHLQS-UHFFFAOYSA-N 1 2 386.833 4.710 50 0 GJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccc(C)cc4[nH+]3)cc2)cc1 ZINC000032960954 570531875 /nfs/dbraw/zinc/53/18/75/570531875.db2.gz KYNHTYMQHODMIP-UHFFFAOYSA-N 1 2 385.467 4.917 50 0 GJAALO COc1ccc(C(=O)Nc2ccc(CCc3[nH]c4cc(C)ccc4[nH+]3)cc2)cc1 ZINC000032960954 570531877 /nfs/dbraw/zinc/53/18/77/570531877.db2.gz KYNHTYMQHODMIP-UHFFFAOYSA-N 1 2 385.467 4.917 50 0 GJAALO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036103003 570540405 /nfs/dbraw/zinc/54/04/05/570540405.db2.gz CSYDIXCJKBOFQE-GOSISDBHSA-N 1 2 389.854 4.514 50 0 GJAALO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036103003 570540409 /nfs/dbraw/zinc/54/04/09/570540409.db2.gz CSYDIXCJKBOFQE-GOSISDBHSA-N 1 2 389.854 4.514 50 0 GJAALO Cc1ccc(C[N@@H+](CCC(C)C)Cc2nc(C(=O)NC(C)C)cs2)s1 ZINC000034670238 570542842 /nfs/dbraw/zinc/54/28/42/570542842.db2.gz YJHXANQJLBROCW-UHFFFAOYSA-N 1 2 379.595 4.700 50 0 GJAALO Cc1ccc(C[N@H+](CCC(C)C)Cc2nc(C(=O)NC(C)C)cs2)s1 ZINC000034670238 570542845 /nfs/dbraw/zinc/54/28/45/570542845.db2.gz YJHXANQJLBROCW-UHFFFAOYSA-N 1 2 379.595 4.700 50 0 GJAALO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022777240 570544975 /nfs/dbraw/zinc/54/49/75/570544975.db2.gz PSFRJIUGPQWFCW-QGZVFWFLSA-N 1 2 396.922 4.577 50 0 GJAALO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022777240 570544978 /nfs/dbraw/zinc/54/49/78/570544978.db2.gz PSFRJIUGPQWFCW-QGZVFWFLSA-N 1 2 396.922 4.577 50 0 GJAALO Cc1ccccc1[C@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921217 570547707 /nfs/dbraw/zinc/54/77/07/570547707.db2.gz YODSGQBNMJMYFW-UGKGYDQZSA-N 1 2 387.527 4.927 50 0 GJAALO Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921214 570547720 /nfs/dbraw/zinc/54/77/20/570547720.db2.gz YODSGQBNMJMYFW-SIKLNZKXSA-N 1 2 387.527 4.927 50 0 GJAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)c1ccccc1Cl ZINC000005577275 570659852 /nfs/dbraw/zinc/65/98/52/570659852.db2.gz MYHFKWMOTPCGBD-UHFFFAOYSA-N 1 2 394.887 4.503 50 0 GJAALO Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000006882179 570677832 /nfs/dbraw/zinc/67/78/32/570677832.db2.gz GCAVSQBRHLASAO-UHFFFAOYSA-N 1 2 396.516 4.591 50 0 GJAALO Cc1cc(=O)oc2cc(C[N@H+](Cc3ccsc3)Cc3cccnc3)ccc12 ZINC000055182688 570686309 /nfs/dbraw/zinc/68/63/09/570686309.db2.gz CVXKGDPSHDFGQC-UHFFFAOYSA-N 1 2 376.481 4.760 50 0 GJAALO Cc1cc(=O)oc2cc(C[N@@H+](Cc3ccsc3)Cc3cccnc3)ccc12 ZINC000055182688 570686310 /nfs/dbraw/zinc/68/63/10/570686310.db2.gz CVXKGDPSHDFGQC-UHFFFAOYSA-N 1 2 376.481 4.760 50 0 GJAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 ZINC000013038237 570742732 /nfs/dbraw/zinc/74/27/32/570742732.db2.gz IYCVWZWLCQNUFO-QUCCMNQESA-N 1 2 391.540 4.627 50 0 GJAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 ZINC000013038237 570742737 /nfs/dbraw/zinc/74/27/37/570742737.db2.gz IYCVWZWLCQNUFO-QUCCMNQESA-N 1 2 391.540 4.627 50 0 GJAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1Cc1c(F)cccc1Cl ZINC000013494659 570756053 /nfs/dbraw/zinc/75/60/53/570756053.db2.gz LPOALZCYOJOOSQ-UHFFFAOYSA-N 1 2 387.886 4.726 50 0 GJAALO CC(C)c1ccc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000014095376 570821880 /nfs/dbraw/zinc/82/18/80/570821880.db2.gz ZIUXZLXKLQSIGH-JOCHJYFZSA-N 1 2 389.528 4.726 50 0 GJAALO CC(C)COc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012507713 570823838 /nfs/dbraw/zinc/82/38/38/570823838.db2.gz DZMCLQCQZSTHOF-HXUWFJFHSA-N 1 2 397.906 4.628 50 0 GJAALO Cc1ccc(-c2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)co2)c(C)c1 ZINC000012527410 570832693 /nfs/dbraw/zinc/83/26/93/570832693.db2.gz JJBZXGVOVUKDNV-UHFFFAOYSA-N 1 2 381.907 4.934 50 0 GJAALO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532850 570834496 /nfs/dbraw/zinc/83/44/96/570834496.db2.gz RJRZIEIYRREYAO-LLVKDONJSA-N 1 2 390.940 4.745 50 0 GJAALO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532850 570834498 /nfs/dbraw/zinc/83/44/98/570834498.db2.gz RJRZIEIYRREYAO-LLVKDONJSA-N 1 2 390.940 4.745 50 0 GJAALO Cc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(F)cc3)nc21 ZINC000007424521 570841323 /nfs/dbraw/zinc/84/13/23/570841323.db2.gz XLOMPFOSSNOXRS-UHFFFAOYSA-N 1 2 394.475 4.677 50 0 GJAALO CCc1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037208936 570847653 /nfs/dbraw/zinc/84/76/53/570847653.db2.gz RQCNTPVLNFHBLG-NRFANRHFSA-N 1 2 382.554 4.958 50 0 GJAALO CCc1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000037208936 570847655 /nfs/dbraw/zinc/84/76/55/570847655.db2.gz RQCNTPVLNFHBLG-NRFANRHFSA-N 1 2 382.554 4.958 50 0 GJAALO Cc1ccccc1C[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007487575 570850710 /nfs/dbraw/zinc/85/07/10/570850710.db2.gz FJPMBXQVDWDBET-UHFFFAOYSA-N 1 2 375.497 4.592 50 0 GJAALO Cc1ccccc1C[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007487575 570850713 /nfs/dbraw/zinc/85/07/13/570850713.db2.gz FJPMBXQVDWDBET-UHFFFAOYSA-N 1 2 375.497 4.592 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000012550207 570851891 /nfs/dbraw/zinc/85/18/91/570851891.db2.gz UYECJRMYRWSZLF-MRXNPFEDSA-N 1 2 393.249 4.777 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000012580047 570876917 /nfs/dbraw/zinc/87/69/17/570876917.db2.gz MJXQTHLMHYAOHL-INIZCTEOSA-N 1 2 375.259 4.638 50 0 GJAALO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012580665 570877831 /nfs/dbraw/zinc/87/78/31/570877831.db2.gz FVKTYOBVPFOAMQ-DEOSSOPVSA-N 1 2 398.510 4.660 50 0 GJAALO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3N3CCCCC3)n2)cc1 ZINC000012586306 570881814 /nfs/dbraw/zinc/88/18/14/570881814.db2.gz HUOWIYYRFXDOBH-UHFFFAOYSA-N 1 2 376.504 4.667 50 0 GJAALO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3N3CCCCC3)n2)cc1 ZINC000012586306 570881818 /nfs/dbraw/zinc/88/18/18/570881818.db2.gz HUOWIYYRFXDOBH-UHFFFAOYSA-N 1 2 376.504 4.667 50 0 GJAALO Cn1c2ccc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)cc2[nH+]c1C1CC1 ZINC000089745633 570911210 /nfs/dbraw/zinc/91/12/10/570911210.db2.gz DZNNMDBKDDGTHZ-UHFFFAOYSA-N 1 2 381.386 4.517 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000023157150 570920403 /nfs/dbraw/zinc/92/04/03/570920403.db2.gz PWSSKSYDSPYWTM-KSSFIOAISA-N 1 2 384.549 4.750 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000023157150 570920407 /nfs/dbraw/zinc/92/04/07/570920407.db2.gz PWSSKSYDSPYWTM-KSSFIOAISA-N 1 2 384.549 4.750 50 0 GJAALO C[C@H](c1cccs1)[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000016435227 570924498 /nfs/dbraw/zinc/92/44/98/570924498.db2.gz OTQMQALDLGOPAZ-LLVKDONJSA-N 1 2 378.295 4.754 50 0 GJAALO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000016435227 570924501 /nfs/dbraw/zinc/92/45/01/570924501.db2.gz OTQMQALDLGOPAZ-LLVKDONJSA-N 1 2 378.295 4.754 50 0 GJAALO Cc1cccc2c(=O)[nH]c(C[NH2+][C@@H](C)c3cc(F)c(Cl)cc3Cl)nc12 ZINC000016694829 570931274 /nfs/dbraw/zinc/93/12/74/570931274.db2.gz ZNGCSCRLULEKND-JTQLQIEISA-N 1 2 380.250 4.528 50 0 GJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012762847 571012867 /nfs/dbraw/zinc/01/28/67/571012867.db2.gz UWPVMRCYMWNVKF-NRFANRHFSA-N 1 2 384.451 4.613 50 0 GJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012762847 571012870 /nfs/dbraw/zinc/01/28/70/571012870.db2.gz UWPVMRCYMWNVKF-NRFANRHFSA-N 1 2 384.451 4.613 50 0 GJAALO C[NH+](C)[C@H](CNC(=O)Cc1cccc2ccccc21)c1c(F)cccc1Cl ZINC000012763872 571014036 /nfs/dbraw/zinc/01/40/36/571014036.db2.gz YFOMQCAWXIHMFA-HXUWFJFHSA-N 1 2 384.882 4.594 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000015640399 571033883 /nfs/dbraw/zinc/03/38/83/571033883.db2.gz UKYYBYOUQYGTES-MRXNPFEDSA-N 1 2 394.689 4.900 50 0 GJAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000095510197 571081530 /nfs/dbraw/zinc/08/15/30/571081530.db2.gz GIMOAXLTZIKQQC-HXUWFJFHSA-N 1 2 391.515 4.810 50 0 GJAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H](C)CC4)csc3C2)nc1 ZINC000426661390 529643415 /nfs/dbraw/zinc/64/34/15/529643415.db2.gz UWSQKJHLIFWRIW-QGZVFWFLSA-N 1 2 397.588 4.526 50 0 GJAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H](C)CC4)csc3C2)nc1 ZINC000426661390 529643418 /nfs/dbraw/zinc/64/34/18/529643418.db2.gz UWSQKJHLIFWRIW-QGZVFWFLSA-N 1 2 397.588 4.526 50 0 GJAALO Oc1cc(-c2cccs2)cc2c1OCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000014993731 210141092 /nfs/dbraw/zinc/14/10/92/210141092.db2.gz UUXNXCHJHLSGEG-UHFFFAOYSA-N 1 2 376.481 4.997 50 0 GJAALO Oc1cc(-c2cccs2)cc2c1OCC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000014993731 210141095 /nfs/dbraw/zinc/14/10/95/210141095.db2.gz UUXNXCHJHLSGEG-UHFFFAOYSA-N 1 2 376.481 4.997 50 0 GJAALO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]c2ccccc12 ZINC000013687607 210079390 /nfs/dbraw/zinc/07/93/90/210079390.db2.gz HRBQMYRHPACTIS-UHFFFAOYSA-N 1 2 380.879 4.551 50 0 GJAALO c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)c[nH+]1 ZINC000001079324 209298417 /nfs/dbraw/zinc/29/84/17/209298417.db2.gz FWXXDQCPDAGRPS-UHFFFAOYSA-N 1 2 397.486 4.517 50 0 GJAALO Cc1ccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=[NH2+])n2C)cc1 ZINC000334157591 212043092 /nfs/dbraw/zinc/04/30/92/212043092.db2.gz POZLPLMKXKIOOB-UHFFFAOYSA-N 1 2 381.479 4.831 50 0 GJAALO COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000003384297 204003021 /nfs/dbraw/zinc/00/30/21/204003021.db2.gz AVJSBCBRHBYDNS-NRFANRHFSA-N 1 2 399.918 4.831 50 0 GJAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cnc(Cl)c(Cl)c1 ZINC000007950864 204255482 /nfs/dbraw/zinc/25/54/82/204255482.db2.gz VETKCEAVGVZWRI-UHFFFAOYSA-N 1 2 375.259 4.717 50 0 GJAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCCCc1ccccc1 ZINC000008583114 204280632 /nfs/dbraw/zinc/28/06/32/204280632.db2.gz QTCUWTZCCFXSOR-UHFFFAOYSA-N 1 2 377.879 4.822 50 0 GJAALO COCc1c2ccccc2oc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000009337547 204307524 /nfs/dbraw/zinc/30/75/24/204307524.db2.gz SNHVGXWHECJXCH-UHFFFAOYSA-N 1 2 399.516 4.520 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c(F)c1 ZINC000011844177 204357010 /nfs/dbraw/zinc/35/70/10/204357010.db2.gz STWUWHGLKIFYMZ-OAQYLSRUSA-N 1 2 381.451 4.920 50 0 GJAALO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3ccccn3)c(C)o2)c(F)c1 ZINC000011844177 204357014 /nfs/dbraw/zinc/35/70/14/204357014.db2.gz STWUWHGLKIFYMZ-OAQYLSRUSA-N 1 2 381.451 4.920 50 0 GJAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1)CCO2 ZINC000012003941 204367715 /nfs/dbraw/zinc/36/77/15/204367715.db2.gz OPYYGOGXXGZZKL-HSZRJFAPSA-N 1 2 395.449 4.636 50 0 GJAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1)CCO2 ZINC000012003941 204367718 /nfs/dbraw/zinc/36/77/18/204367718.db2.gz OPYYGOGXXGZZKL-HSZRJFAPSA-N 1 2 395.449 4.636 50 0 GJAALO Cc1cc(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)[nH]n1 ZINC000012316606 204394703 /nfs/dbraw/zinc/39/47/03/204394703.db2.gz WXTUAQJNHYPGHU-UHFFFAOYSA-N 1 2 389.478 4.650 50 0 GJAALO Cc1cc(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)[nH]n1 ZINC000012316606 204394705 /nfs/dbraw/zinc/39/47/05/204394705.db2.gz WXTUAQJNHYPGHU-UHFFFAOYSA-N 1 2 389.478 4.650 50 0 GJAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000012641435 204434440 /nfs/dbraw/zinc/43/44/40/204434440.db2.gz DXFMZMCYTPBVSI-UHFFFAOYSA-N 1 2 395.890 4.520 50 0 GJAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037208887 205024496 /nfs/dbraw/zinc/02/44/96/205024496.db2.gz JSZPUCFHNWKMMK-OAQYLSRUSA-N 1 2 398.553 4.795 50 0 GJAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037208887 205024502 /nfs/dbraw/zinc/02/45/02/205024502.db2.gz JSZPUCFHNWKMMK-OAQYLSRUSA-N 1 2 398.553 4.795 50 0 GJAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000040052262 205049188 /nfs/dbraw/zinc/04/91/88/205049188.db2.gz XVTFAXNONHYXIT-UHFFFAOYSA-N 1 2 395.890 4.558 50 0 GJAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000040052262 205049191 /nfs/dbraw/zinc/04/91/91/205049191.db2.gz XVTFAXNONHYXIT-UHFFFAOYSA-N 1 2 395.890 4.558 50 0 GJAALO Fc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000054263426 205139385 /nfs/dbraw/zinc/13/93/85/205139385.db2.gz UBNVYAJIDLREMW-QPJJXVBHSA-N 1 2 389.927 4.507 50 0 GJAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(Br)s1 ZINC000057681159 205161550 /nfs/dbraw/zinc/16/15/50/205161550.db2.gz NBQCABZLGXOBKN-NSHDSACASA-N 1 2 377.307 4.695 50 0 GJAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057681159 205161553 /nfs/dbraw/zinc/16/15/53/205161553.db2.gz NBQCABZLGXOBKN-NSHDSACASA-N 1 2 377.307 4.695 50 0 GJAALO Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)[nH+]c12 ZINC000058166315 205165187 /nfs/dbraw/zinc/16/51/87/205165187.db2.gz IPDWMZSBZHRKEW-ZDUSSCGKSA-N 1 2 376.287 4.712 50 0 GJAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1cn2ccsc2n1)OCCO3 ZINC000058159889 205165511 /nfs/dbraw/zinc/16/55/11/205165511.db2.gz QWMSSZBXCOUCIK-OAHLLOKOSA-N 1 2 395.528 4.556 50 0 GJAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1cn2ccsc2n1)OCCO3 ZINC000058159889 205165516 /nfs/dbraw/zinc/16/55/16/205165516.db2.gz QWMSSZBXCOUCIK-OAHLLOKOSA-N 1 2 395.528 4.556 50 0 GJAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4ccc(F)cc4F)c3)cn2c1 ZINC000058441111 205175980 /nfs/dbraw/zinc/17/59/80/205175980.db2.gz ILKOFJLHRQQMBU-UHFFFAOYSA-N 1 2 393.393 4.752 50 0 GJAALO O=C(CCCc1ccccc1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129315 206104120 /nfs/dbraw/zinc/10/41/20/206104120.db2.gz WAWWBRZMPKEULS-UHFFFAOYSA-N 1 2 387.527 4.812 50 0 GJAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2c(s1)CCCCCC2 ZINC000032860014 206095113 /nfs/dbraw/zinc/09/51/13/206095113.db2.gz ABMXGSZDPSAMEQ-UHFFFAOYSA-N 1 2 379.529 4.582 50 0 GJAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)NC3CCN(c4ccccc4)CC3)c2)c1 ZINC000299784199 206189632 /nfs/dbraw/zinc/18/96/32/206189632.db2.gz HHHQYPJMSODYDG-UHFFFAOYSA-N 1 2 385.511 4.764 50 0 GJAALO COc1cccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccc(F)cc32)c1 ZINC000095471178 211245887 /nfs/dbraw/zinc/24/58/87/211245887.db2.gz FGEYVZZIFRZNPN-UHFFFAOYSA-N 1 2 393.462 4.621 50 0 GJAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000064045198 136156605 /nfs/dbraw/zinc/15/66/05/136156605.db2.gz CNHJNJWSIJFHNU-UHFFFAOYSA-N 1 2 381.907 4.934 50 0 GJAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000011503016 525507317 /nfs/dbraw/zinc/50/73/17/525507317.db2.gz OWZMHOVTYYKDAE-HFXUHXBXSA-N 1 2 394.540 4.802 50 0 GJAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000011503016 525507326 /nfs/dbraw/zinc/50/73/26/525507326.db2.gz OWZMHOVTYYKDAE-HFXUHXBXSA-N 1 2 394.540 4.802 50 0 GJAALO CC1=C[C@@H](C)[C@]2(COC(=O)C[NH+]3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C ZINC000004026351 528133312 /nfs/dbraw/zinc/13/33/12/528133312.db2.gz HNJMMPWWHNRBHV-QEYZJBADSA-N 1 2 397.559 4.622 50 0 biogenic GJAALO CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)n1cccc1 ZINC000409413469 528374037 /nfs/dbraw/zinc/37/40/37/528374037.db2.gz IFCWGNJVZMCBEI-QHCPKHFHSA-N 1 2 386.499 4.985 50 0 GJAALO CCn1c(-c2ccccc2)nn(C[NH+]2CCC(c3ccccc3)CC2)c1=S ZINC000001425950 570262839 /nfs/dbraw/zinc/26/28/39/570262839.db2.gz CGLAJEGUYBLNAL-UHFFFAOYSA-N 1 2 378.545 4.938 50 0 GJAALO COCCc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C3CCCC3)s2)n1 ZINC000215567752 570289793 /nfs/dbraw/zinc/28/97/93/570289793.db2.gz QBPDNWNUDAYSHC-QGZVFWFLSA-N 1 2 375.538 4.705 50 0 GJAALO COCCc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C3CCCC3)s2)n1 ZINC000215567752 570289794 /nfs/dbraw/zinc/28/97/94/570289794.db2.gz QBPDNWNUDAYSHC-QGZVFWFLSA-N 1 2 375.538 4.705 50 0 GJAALO CCCc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)cc1 ZINC000002868188 570313241 /nfs/dbraw/zinc/31/32/41/570313241.db2.gz HGHVFNYMCFIWIF-UHFFFAOYSA-N 1 2 398.510 4.871 50 0 GJAALO CC[C@H](C)NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906538 570339065 /nfs/dbraw/zinc/33/90/65/570339065.db2.gz KUCQMQJZLSMLMR-AZUAARDMSA-N 1 2 396.579 4.748 50 0 GJAALO Cc1cccn2cc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)[nH+]c12 ZINC000000798151 570339442 /nfs/dbraw/zinc/33/94/42/570339442.db2.gz UPDQGVUGLMDTKP-UHFFFAOYSA-N 1 2 395.418 4.668 50 0 GJAALO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nc(C(C)C)cs2)CC1 ZINC000023129021 570345364 /nfs/dbraw/zinc/34/53/64/570345364.db2.gz VOCSLJMWEXIMHO-UHFFFAOYSA-N 1 2 386.561 4.655 50 0 GJAALO O=C(c1ccccc1Nc1ccc(F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735151 570370814 /nfs/dbraw/zinc/37/08/14/570370814.db2.gz IZBBRWPWLWFSBG-UHFFFAOYSA-N 1 2 395.503 4.589 50 0 GJAALO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1OC ZINC000022787060 570377084 /nfs/dbraw/zinc/37/70/84/570377084.db2.gz VMCYJYPRBJFYFX-SNVBAGLBSA-N 1 2 386.236 4.595 50 0 GJAALO O=C(CSc1[nH+]cc2ccccn21)Nc1ccccc1Oc1ccccc1 ZINC000024209741 570380780 /nfs/dbraw/zinc/38/07/80/570380780.db2.gz VDQBWTVTPZICLN-UHFFFAOYSA-N 1 2 375.453 4.857 50 0 GJAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2c3ccccc3[nH+]c2N1 ZINC000004741915 570401299 /nfs/dbraw/zinc/40/12/99/570401299.db2.gz SMKUUHPCDZRREQ-QFIPXVFZSA-N 1 2 396.450 4.670 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3Cl)no2)c(OC)c1 ZINC000012988229 570407688 /nfs/dbraw/zinc/40/76/88/570407688.db2.gz PEEBNJBNDILOHU-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3Cl)no2)c(OC)c1 ZINC000012988229 570407691 /nfs/dbraw/zinc/40/76/91/570407691.db2.gz PEEBNJBNDILOHU-GOSISDBHSA-N 1 2 399.878 4.744 50 0 GJAALO O=C([C@@H]1CC=CCC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132420 570435672 /nfs/dbraw/zinc/43/56/72/570435672.db2.gz WVKMTGMGTRFQNB-HXUWFJFHSA-N 1 2 396.481 4.555 50 0 GJAALO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC000028174389 570451510 /nfs/dbraw/zinc/45/15/10/570451510.db2.gz NNMWFDCRADZXRT-AWEZNQCLSA-N 1 2 383.542 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50 0 GJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000012298643 221175966 /nfs/dbraw/zinc/17/59/66/221175966.db2.gz NISROCCTQBAWJC-KRWDZBQOSA-N 1 2 393.512 4.553 50 0 GJAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000012298643 221175968 /nfs/dbraw/zinc/17/59/68/221175968.db2.gz NISROCCTQBAWJC-KRWDZBQOSA-N 1 2 393.512 4.553 50 0 GJAALO CN(C(=O)Nc1ccc(Cl)cc1)[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012507358 221199968 /nfs/dbraw/zinc/19/99/68/221199968.db2.gz GXVXIQPGZQVUML-QGZVFWFLSA-N 1 2 389.286 4.980 50 0 GJAALO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122581 221262102 /nfs/dbraw/zinc/26/21/02/221262102.db2.gz LQQXZIJRHRFAGZ-FCHUYYIVSA-N 1 2 398.491 4.861 50 0 aggregator GJAALO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(Cl)cc3Cl)n2)CC1 ZINC000014167088 221300500 /nfs/dbraw/zinc/30/05/00/221300500.db2.gz PDZFXDIFSYUZJC-UHFFFAOYSA-N 1 2 398.359 4.863 50 0 GJAALO Cc1cccc(OCC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c1 ZINC000015863707 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GJAALO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000012818969 570232120 /nfs/dbraw/zinc/23/21/20/570232120.db2.gz TVCFECBQRNLNGB-FQEVSTJZSA-N 1 2 394.544 4.904 50 0 GJAALO CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000012818969 570232122 /nfs/dbraw/zinc/23/21/22/570232122.db2.gz TVCFECBQRNLNGB-FQEVSTJZSA-N 1 2 394.544 4.904 50 0 GJAALO CC(C)Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000019952307 570233450 /nfs/dbraw/zinc/23/34/50/570233450.db2.gz MQZRFPVAIGWESG-UHFFFAOYSA-N 1 2 378.303 4.964 50 0 GJAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149127 570244145 /nfs/dbraw/zinc/24/41/45/570244145.db2.gz FGGJBOYDIFAKAY-FQEVSTJZSA-N 1 2 399.494 4.820 50 0 GJAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149127 570244146 /nfs/dbraw/zinc/24/41/46/570244146.db2.gz FGGJBOYDIFAKAY-FQEVSTJZSA-N 1 2 399.494 4.820 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(Br)c1 ZINC000048367671 570247206 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Cc1ccc2c(Cl)c(C(=O)N3CC[NH+](CCc4ccccc4)CC3)sc2c1 ZINC000055057226 534393383 /nfs/dbraw/zinc/39/33/83/534393383.db2.gz WRLLBFKUPZJXJZ-UHFFFAOYSA-N 1 2 398.959 4.864 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)Cc3ccccc3OC)ccc2[nH+]1 ZINC000004757337 520876642 /nfs/dbraw/zinc/87/66/42/520876642.db2.gz AHXURJZOQKSMOS-UHFFFAOYSA-N 1 2 377.488 4.579 50 0 GJAALO O=C(c1cccc(F)c1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023312561 570237744 /nfs/dbraw/zinc/23/77/44/570237744.db2.gz UDGGHVAUPLRQGF-QHCPKHFHSA-N 1 2 392.449 4.512 50 0 GJAALO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl ZINC000006084481 570239204 /nfs/dbraw/zinc/23/92/04/570239204.db2.gz MGGPRDPJTUOBNW-SFHVURJKSA-N 1 2 377.315 4.619 50 0 GJAALO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl ZINC000006084481 570239207 /nfs/dbraw/zinc/23/92/07/570239207.db2.gz MGGPRDPJTUOBNW-SFHVURJKSA-N 1 2 377.315 4.619 50 0 GJAALO CCn1c(=S)n(C[N@H+](C)Cc2sccc2C)nc1-c1ccc(OC)cc1 ZINC000012852727 570266612 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Cc1cccc(OC2CC[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000012429476 221191428 /nfs/dbraw/zinc/19/14/28/221191428.db2.gz KFFIHVXVUWAPMM-UHFFFAOYSA-N 1 2 383.879 4.742 50 0 GJAALO CC(C)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012434087 221193428 /nfs/dbraw/zinc/19/34/28/221193428.db2.gz VUXPHQNOIHNVPE-HNNXBMFYSA-N 1 2 379.426 4.647 50 0 GJAALO CC(C)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012434087 221193431 /nfs/dbraw/zinc/19/34/31/221193431.db2.gz VUXPHQNOIHNVPE-HNNXBMFYSA-N 1 2 379.426 4.647 50 0 GJAALO CCn1c(=S)n(C[N@H+](C)C(c2ccccc2)c2ccccc2)nc1C1CC1 ZINC000012817644 221236373 /nfs/dbraw/zinc/23/63/73/221236373.db2.gz SULLIFNQEGEYMQ-UHFFFAOYSA-N 1 2 378.545 4.990 50 0 GJAALO CCn1c(=S)n(C[N@@H+](C)C(c2ccccc2)c2ccccc2)nc1C1CC1 ZINC000012817644 221236376 /nfs/dbraw/zinc/23/63/76/221236376.db2.gz SULLIFNQEGEYMQ-UHFFFAOYSA-N 1 2 378.545 4.990 50 0 GJAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccco3)n(CC)c2=S)cc1 ZINC000014181813 221302694 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Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000056872694 222026548 /nfs/dbraw/zinc/02/65/48/222026548.db2.gz AUNIINRTGOKBCX-UHFFFAOYSA-N 1 2 394.525 4.545 50 0 GJAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000058305031 222049874 /nfs/dbraw/zinc/04/98/74/222049874.db2.gz FJRXLIOAIYSABX-CXAGYDPISA-N 1 2 382.485 4.861 50 0 GJAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000058305031 222049876 /nfs/dbraw/zinc/04/98/76/222049876.db2.gz FJRXLIOAIYSABX-CXAGYDPISA-N 1 2 382.485 4.861 50 0 GJAALO CCc1ccsc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000059984542 222057686 /nfs/dbraw/zinc/05/76/86/222057686.db2.gz DWXKZXMMYYKUNI-MRXNPFEDSA-N 1 2 380.916 4.670 50 0 GJAALO O=C(c1cccc(Cl)c1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129254 222066155 /nfs/dbraw/zinc/06/61/55/222066155.db2.gz AKKUBOKGVWWLNT-UHFFFAOYSA-N 1 2 379.891 4.756 50 0 GJAALO c1ccc2nc(C[N@H+](Cc3cccnc3)Cc3ccc4c(c3)OCO4)ccc2c1 ZINC000063871736 222068544 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Cc1cccnc1C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000071315608 222180729 /nfs/dbraw/zinc/18/07/29/222180729.db2.gz RAONZKKBBTYLPS-UHFFFAOYSA-N 1 2 380.875 4.811 50 0 GJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000072447256 222263688 /nfs/dbraw/zinc/26/36/88/222263688.db2.gz YJYASYQWHCRCEW-UHFFFAOYSA-N 1 2 394.862 4.985 50 0 GJAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000072447256 222263691 /nfs/dbraw/zinc/26/36/91/222263691.db2.gz YJYASYQWHCRCEW-UHFFFAOYSA-N 1 2 394.862 4.985 50 0 GJAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000095505849 222339729 /nfs/dbraw/zinc/33/97/29/222339729.db2.gz VOTARRBAKPDZIN-INIZCTEOSA-N 1 2 379.426 4.722 50 0 GJAALO O=C(c1ccc(Oc2ccccc2Cl)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096183826 222396323 /nfs/dbraw/zinc/39/63/23/222396323.db2.gz WOWNRGXVZVOZGM-UHFFFAOYSA-N 1 2 396.874 4.683 50 0 GJAALO Cc1cccc(CN(C(=O)NCc2c[nH+]c3ccccn23)C2CCCCC2)c1 ZINC000426719973 534696901 /nfs/dbraw/zinc/69/69/01/534696901.db2.gz POZOEGQWOXWTTO-UHFFFAOYSA-N 1 2 376.504 4.687 50 0 GJAALO CCCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000019879840 570227010 /nfs/dbraw/zinc/22/70/10/570227010.db2.gz LZDIKMLPJKXVJI-SFHVURJKSA-N 1 2 378.303 4.763 50 0 GJAALO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818402 570232013 /nfs/dbraw/zinc/23/20/13/570232013.db2.gz KHDYGJPZOLRSLZ-BBATYDOGSA-N 1 2 381.278 4.803 50 0 GJAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4cccc(F)c4)c3)cn2c1 ZINC000011608668 570234146 /nfs/dbraw/zinc/23/41/46/570234146.db2.gz MDBVAHNSEMDZDN-UHFFFAOYSA-N 1 2 375.403 4.613 50 0 GJAALO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012909111 570291205 /nfs/dbraw/zinc/29/12/05/570291205.db2.gz CLJBSRIKGZFGFB-VOJFVSQTSA-N 1 2 381.278 4.803 50 0 GJAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c2cccc(C)c2n1 ZINC000216496430 570303105 /nfs/dbraw/zinc/30/31/05/570303105.db2.gz FHEWVBJNNGLKKT-GOSISDBHSA-N 1 2 376.504 4.649 50 0 GJAALO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000022185706 570306787 /nfs/dbraw/zinc/30/67/87/570306787.db2.gz ZZPVYQPGYOCFLB-FQEVSTJZSA-N 1 2 397.906 4.702 50 0 GJAALO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000022185706 570306789 /nfs/dbraw/zinc/30/67/89/570306789.db2.gz ZZPVYQPGYOCFLB-FQEVSTJZSA-N 1 2 397.906 4.702 50 0 GJAALO CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000055546486 570351659 /nfs/dbraw/zinc/35/16/59/570351659.db2.gz GMAJBVYGGHKXNJ-UHFFFAOYSA-N 1 2 392.330 4.664 50 0 GJAALO CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004299705 570366524 /nfs/dbraw/zinc/36/65/24/570366524.db2.gz LGTQIXLILPASPB-SFTDATJTSA-N 1 2 384.907 4.890 50 0 GJAALO CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@H+]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004299705 570366525 /nfs/dbraw/zinc/36/65/25/570366525.db2.gz LGTQIXLILPASPB-SFTDATJTSA-N 1 2 384.907 4.890 50 0 GJAALO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1Nc1ccc2c(c1)OCO2 ZINC000004921919 570369695 /nfs/dbraw/zinc/36/96/95/570369695.db2.gz XPRVECJCYKJVKC-UHFFFAOYSA-N 1 2 379.803 4.833 50 0 GJAALO COc1ccccc1Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000024050790 570377921 /nfs/dbraw/zinc/37/79/21/570377921.db2.gz VUROBHXBOBRNHH-UHFFFAOYSA-N 1 2 385.423 4.926 50 0 GJAALO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000004632160 570389064 /nfs/dbraw/zinc/38/90/64/570389064.db2.gz UPEVFCGKJSUQBR-QFIPXVFZSA-N 1 2 380.451 4.964 50 0 GJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccco2)cc1 ZINC000004741616 570400957 /nfs/dbraw/zinc/40/09/57/570400957.db2.gz JVBUOAWTOZQZLK-OAQYLSRUSA-N 1 2 384.439 4.865 50 0 GJAALO COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)[nH+]c3cc(C)ccn32)c1 ZINC000035622070 570403871 /nfs/dbraw/zinc/40/38/71/570403871.db2.gz XVIXSBPBINBCPF-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO COc1ccc2c(C[N@H+](Cc3c(F)cccc3Cl)C3CC3)cc(=O)oc2c1 ZINC000027370223 570433893 /nfs/dbraw/zinc/43/38/93/570433893.db2.gz CDSFCHYZITUDSK-UHFFFAOYSA-N 1 2 387.838 4.759 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/nfs/dbraw/zinc/08/32/02/221083202.db2.gz MLJJOPAXUZSQIX-LJQANCHMSA-N 1 2 391.471 4.543 50 0 GJAALO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000009484307 221083203 /nfs/dbraw/zinc/08/32/03/221083203.db2.gz MLJJOPAXUZSQIX-LJQANCHMSA-N 1 2 391.471 4.543 50 0 GJAALO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 ZINC000011821321 221129426 /nfs/dbraw/zinc/12/94/26/221129426.db2.gz WLKOSXVGTXCOAE-NRFANRHFSA-N 1 2 391.471 4.632 50 0 GJAALO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 ZINC000011821321 221129429 /nfs/dbraw/zinc/12/94/29/221129429.db2.gz WLKOSXVGTXCOAE-NRFANRHFSA-N 1 2 391.471 4.632 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000012305846 221177094 /nfs/dbraw/zinc/17/70/94/221177094.db2.gz RBVPZCJLGCAUOG-NRFANRHFSA-N 1 2 391.446 4.616 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000012305846 221177098 /nfs/dbraw/zinc/17/70/98/221177098.db2.gz RBVPZCJLGCAUOG-NRFANRHFSA-N 1 2 391.446 4.616 50 0 GJAALO Clc1ccccc1OC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000012575053 221208438 /nfs/dbraw/zinc/20/84/38/221208438.db2.gz HJUVEQYULNSTHP-UHFFFAOYSA-N 1 2 397.906 4.552 50 0 GJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000012636278 221216606 /nfs/dbraw/zinc/21/66/06/221216606.db2.gz QOQRTSPBXMGVNH-FQEVSTJZSA-N 1 2 380.517 4.515 50 0 GJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000012636278 221216609 /nfs/dbraw/zinc/21/66/09/221216609.db2.gz QOQRTSPBXMGVNH-FQEVSTJZSA-N 1 2 380.517 4.515 50 0 GJAALO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012857648 221238415 /nfs/dbraw/zinc/23/84/15/221238415.db2.gz DATXUFPISJYNHO-UHFFFAOYSA-N 1 2 375.497 4.592 50 0 GJAALO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012857648 221238418 /nfs/dbraw/zinc/23/84/18/221238418.db2.gz DATXUFPISJYNHO-UHFFFAOYSA-N 1 2 375.497 4.592 50 0 GJAALO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=[NH+]3)cc1 ZINC000013122578 221261486 /nfs/dbraw/zinc/26/14/86/221261486.db2.gz LQQXZIJRHRFAGZ-YADHBBJMSA-N 1 2 398.491 4.861 50 0 aggregator GJAALO CCn1c(=S)n(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)nc1-c1ccncc1 ZINC000014197168 221303829 /nfs/dbraw/zinc/30/38/29/221303829.db2.gz WVMUYVXXJRSJNC-UHFFFAOYSA-N 1 2 395.576 4.883 50 0 GJAALO CCn1c(=S)n(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)nc1-c1ccncc1 ZINC000014197168 221303830 /nfs/dbraw/zinc/30/38/30/221303830.db2.gz WVMUYVXXJRSJNC-UHFFFAOYSA-N 1 2 395.576 4.883 50 0 GJAALO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)[nH]n1 ZINC000015079832 221333133 /nfs/dbraw/zinc/33/31/33/221333133.db2.gz JXHFTMLODFSDGA-LJQANCHMSA-N 1 2 377.463 4.619 50 0 GJAALO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)[nH]n1 ZINC000015079832 221333135 /nfs/dbraw/zinc/33/31/35/221333135.db2.gz JXHFTMLODFSDGA-LJQANCHMSA-N 1 2 377.463 4.619 50 0 GJAALO COc1cccc(CC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c1 ZINC000015825855 221347019 /nfs/dbraw/zinc/34/70/19/221347019.db2.gz USMSOYNRTGIDPQ-UHFFFAOYSA-N 1 2 389.499 4.723 50 0 GJAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)Cc4ccc(F)cc4)c3)[nH+]c2c1 ZINC000015863580 221350369 /nfs/dbraw/zinc/35/03/69/221350369.db2.gz IZVPDYDUBDANBF-UHFFFAOYSA-N 1 2 387.458 4.977 50 0 GJAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)Cc4ccc(F)cc4)c3)[nH]c2c1 ZINC000015863580 221350372 /nfs/dbraw/zinc/35/03/72/221350372.db2.gz IZVPDYDUBDANBF-UHFFFAOYSA-N 1 2 387.458 4.977 50 0 GJAALO Clc1ccc(C(c2ccc(Cl)cc2)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000014110740 136201530 /nfs/dbraw/zinc/20/15/30/136201530.db2.gz HAAYXNHXJKQPAF-UHFFFAOYSA-N 1 2 399.325 4.695 50 0 GJAALO O=C(NCCc1ccccc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021704917 221539094 /nfs/dbraw/zinc/53/90/94/221539094.db2.gz ZXHKYEOKJIPJAO-UHFFFAOYSA-N 1 2 384.483 4.712 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406586 222031850 /nfs/dbraw/zinc/03/18/50/222031850.db2.gz KRKYIIDGIGPGNW-FQEVSTJZSA-N 1 2 388.467 4.612 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406586 222031854 /nfs/dbraw/zinc/03/18/54/222031854.db2.gz KRKYIIDGIGPGNW-FQEVSTJZSA-N 1 2 388.467 4.612 50 0 GJAALO Cc1nc2c(s1)CCC[C@H]2n1cnc(-c2ccccc2)c1-c1[nH+]c[nH]c1C ZINC000067605410 222149021 /nfs/dbraw/zinc/14/90/21/222149021.db2.gz ZNRNQVVQXQFNOM-MRXNPFEDSA-N 1 2 375.501 4.939 50 0 GJAALO C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]c[nH+]1 ZINC000067772639 222159854 /nfs/dbraw/zinc/15/98/54/222159854.db2.gz BWDLJCGMEFGYRR-GOSISDBHSA-N 1 2 380.536 4.636 50 0 GJAALO CCc1cc(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)on1 ZINC000067894285 222166023 /nfs/dbraw/zinc/16/60/23/222166023.db2.gz VXQCRXOAJOGRPX-UHFFFAOYSA-N 1 2 384.863 4.658 50 0 GJAALO CCc1cc(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)on1 ZINC000067894285 222166029 /nfs/dbraw/zinc/16/60/29/222166029.db2.gz VXQCRXOAJOGRPX-UHFFFAOYSA-N 1 2 384.863 4.658 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(C)cc3C)C2)nc[nH+]1 ZINC000065242406 535193518 /nfs/dbraw/zinc/19/35/18/535193518.db2.gz FTULGEOSNUNTDE-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(C)cc3C)C2)[nH+]cn1 ZINC000065242406 535193520 /nfs/dbraw/zinc/19/35/20/535193520.db2.gz FTULGEOSNUNTDE-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012813955 570228806 /nfs/dbraw/zinc/22/88/06/570228806.db2.gz JAGDYVMFHTURQS-FQEVSTJZSA-N 1 2 394.544 4.730 50 0 GJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 ZINC000012813955 570228812 /nfs/dbraw/zinc/22/88/12/570228812.db2.gz JAGDYVMFHTURQS-FQEVSTJZSA-N 1 2 394.544 4.730 50 0 GJAALO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818397 570231748 /nfs/dbraw/zinc/23/17/48/570231748.db2.gz KHDYGJPZOLRSLZ-ZMZPIMSZSA-N 1 2 381.278 4.803 50 0 GJAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)c2cccc(C)c2)on1 ZINC000048324632 570235943 /nfs/dbraw/zinc/23/59/43/570235943.db2.gz YTGLUNIHEVXBOQ-JOCHJYFZSA-N 1 2 389.499 4.662 50 0 GJAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)c2cccc(C)c2)on1 ZINC000048324632 570235945 /nfs/dbraw/zinc/23/59/45/570235945.db2.gz YTGLUNIHEVXBOQ-JOCHJYFZSA-N 1 2 389.499 4.662 50 0 GJAALO Cc1ccc(CN(Cc2ccccn2)C(=O)c2ccccc2-c2[nH]cc[nH+]2)s1 ZINC000097492397 570245000 /nfs/dbraw/zinc/24/50/00/570245000.db2.gz TXPRQBGZOZBKRM-UHFFFAOYSA-N 1 2 388.496 4.684 50 0 GJAALO c1ccc(C[N@@H+]2CCc3c(sc4ncn5nc(-c6ccccc6)nc5c34)C2)cc1 ZINC000020548821 570267687 /nfs/dbraw/zinc/26/76/87/570267687.db2.gz VCJGOJBMRXKXAU-UHFFFAOYSA-N 1 2 397.507 4.564 50 0 GJAALO c1ccc(C[N@H+]2CCc3c(sc4ncn5nc(-c6ccccc6)nc5c34)C2)cc1 ZINC000020548821 570267688 /nfs/dbraw/zinc/26/76/88/570267688.db2.gz VCJGOJBMRXKXAU-UHFFFAOYSA-N 1 2 397.507 4.564 50 0 GJAALO O=C(NC1CCCC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022629497 570267835 /nfs/dbraw/zinc/26/78/35/570267835.db2.gz UFMCCXBCCVGNNZ-QFIPXVFZSA-N 1 2 397.950 4.699 50 0 GJAALO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929665 570299618 /nfs/dbraw/zinc/29/96/18/570299618.db2.gz XOKUJAVROSNOSC-UHFFFAOYSA-N 1 2 390.552 4.615 50 0 GJAALO Cc1sc2[nH]c(C[NH+](Cc3ccccc3)Cc3ccccc3)nc(=O)c2c1C ZINC000033412956 570312645 /nfs/dbraw/zinc/31/26/45/570312645.db2.gz SBIGRGDASKMDIX-UHFFFAOYSA-N 1 2 389.524 4.804 50 0 GJAALO O=c1[nH]c(C[N@H+]2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000033438276 570349517 /nfs/dbraw/zinc/34/95/17/570349517.db2.gz FGGMEMKSQNFZIB-UHFFFAOYSA-N 1 2 385.389 4.644 50 0 aggregator GJAALO O=c1[nH]c(C[N@@H+]2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000033438276 570349518 /nfs/dbraw/zinc/34/95/18/570349518.db2.gz FGGMEMKSQNFZIB-UHFFFAOYSA-N 1 2 385.389 4.644 50 0 aggregator GJAALO COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619129 570366744 /nfs/dbraw/zinc/36/67/44/570366744.db2.gz HCBCJUDOJBNYIK-UHFFFAOYSA-N 1 2 381.863 4.801 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000033708539 570400549 /nfs/dbraw/zinc/40/05/49/570400549.db2.gz SRFDAWJCAMRPEL-ZRGWGRIASA-N 1 2 398.576 4.996 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000033708539 570400555 /nfs/dbraw/zinc/40/05/55/570400555.db2.gz SRFDAWJCAMRPEL-ZRGWGRIASA-N 1 2 398.576 4.996 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000025159316 570407549 /nfs/dbraw/zinc/40/75/49/570407549.db2.gz IWYMLQLFOSTFRV-FQEVSTJZSA-N 1 2 391.858 4.853 50 0 GJAALO CC(C)c1ccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)cc1 ZINC000064471566 570467148 /nfs/dbraw/zinc/46/71/48/570467148.db2.gz JPHLUCYZBGNLGG-UHFFFAOYSA-N 1 2 375.472 4.574 50 0 GJAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035999902 570506006 /nfs/dbraw/zinc/50/60/06/570506006.db2.gz YBPGGFHMPKQRQA-UHFFFAOYSA-N 1 2 395.934 4.751 50 0 GJAALO CCNC(=O)c1coc(C[N@H+](Cc2cc(C)ccc2C)[C@H](C)c2ccccc2)n1 ZINC000036073423 570528122 /nfs/dbraw/zinc/52/81/22/570528122.db2.gz TZYHIXISVXNXPB-LJQANCHMSA-N 1 2 391.515 4.805 50 0 GJAALO CCNC(=O)c1coc(C[N@@H+](Cc2cc(C)ccc2C)[C@H](C)c2ccccc2)n1 ZINC000036073423 570528126 /nfs/dbraw/zinc/52/81/26/570528126.db2.gz TZYHIXISVXNXPB-LJQANCHMSA-N 1 2 391.515 4.805 50 0 GJAALO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960724 570530846 /nfs/dbraw/zinc/53/08/46/570530846.db2.gz QRWDKIUPYNGYLW-QGZVFWFLSA-N 1 2 385.467 4.754 50 0 GJAALO COc1cccc(CC(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000032960828 570531462 /nfs/dbraw/zinc/53/14/62/570531462.db2.gz BWUDLAOFKGPNRF-UHFFFAOYSA-N 1 2 399.494 4.548 50 0 GJAALO CC[NH+](CC)Cc1nnc2sc(/C=C\c3ccc(Cl)cc3Cl)nn12 ZINC000097466836 570541930 /nfs/dbraw/zinc/54/19/30/570541930.db2.gz GDCAZVOIYYWQHQ-VURMDHGXSA-N 1 2 382.320 4.505 50 0 GJAALO CC(C)CN(Cc1[nH+]ccn1Cc1ccc(F)cc1)C(=O)c1ccccc1F ZINC000006724068 570552711 /nfs/dbraw/zinc/55/27/11/570552711.db2.gz HSVBHJPWZLSVEC-UHFFFAOYSA-N 1 2 383.442 4.508 50 0 GJAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853279 570556454 /nfs/dbraw/zinc/55/64/54/570556454.db2.gz YBLFLAKLBGNSPB-INIZCTEOSA-N 1 2 390.940 4.534 50 0 GJAALO CCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)[nH+]c(C)c2C(C)C)CC1 ZINC000006735421 570558101 /nfs/dbraw/zinc/55/81/01/570558101.db2.gz YHFOBZYHFQHXDB-UHFFFAOYSA-N 1 2 394.563 4.723 50 0 GJAALO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873788 570589552 /nfs/dbraw/zinc/58/95/52/570589552.db2.gz CDBRJLGCLCRBPF-OAQYLSRUSA-N 1 2 377.488 4.591 50 0 GJAALO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873788 570589556 /nfs/dbraw/zinc/58/95/56/570589556.db2.gz CDBRJLGCLCRBPF-OAQYLSRUSA-N 1 2 377.488 4.591 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000011937930 570594487 /nfs/dbraw/zinc/59/44/87/570594487.db2.gz BDWQRTLAWAOLNA-OAQYLSRUSA-N 1 2 391.446 4.616 50 0 GJAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000011937930 570594490 /nfs/dbraw/zinc/59/44/90/570594490.db2.gz BDWQRTLAWAOLNA-OAQYLSRUSA-N 1 2 391.446 4.616 50 0 GJAALO CCN(CC)C(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000004597469 570629149 /nfs/dbraw/zinc/62/91/49/570629149.db2.gz HHZXLLAYHLGEBG-HXUWFJFHSA-N 1 2 394.906 4.847 50 0 GJAALO COc1cccc(CC(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)c1 ZINC000033019804 570645635 /nfs/dbraw/zinc/64/56/35/570645635.db2.gz XSVCJRRSKXXTJW-UHFFFAOYSA-N 1 2 399.494 4.548 50 0 GJAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2ccccc2Cl)oc1C)C1CC1 ZINC000012583036 570684490 /nfs/dbraw/zinc/68/44/90/570684490.db2.gz CQOXJBFGJFUGMF-UHFFFAOYSA-N 1 2 384.911 4.818 50 0 GJAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2ccccc2Cl)oc1C)C1CC1 ZINC000012583036 570684492 /nfs/dbraw/zinc/68/44/92/570684492.db2.gz CQOXJBFGJFUGMF-UHFFFAOYSA-N 1 2 384.911 4.818 50 0 GJAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1)NC1CCCCC1 ZINC000055551729 570696759 /nfs/dbraw/zinc/69/67/59/570696759.db2.gz HCPZYTBWQCFSGX-UHFFFAOYSA-N 1 2 395.551 4.639 50 0 aggregator GJAALO O=C(Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1)NC1CCCCC1 ZINC000055551729 570696761 /nfs/dbraw/zinc/69/67/61/570696761.db2.gz HCPZYTBWQCFSGX-UHFFFAOYSA-N 1 2 395.551 4.639 50 0 aggregator GJAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036437946 570706605 /nfs/dbraw/zinc/70/66/05/570706605.db2.gz MNVZAXASRIFKJS-AOMKIAJQSA-N 1 2 396.581 4.977 50 0 GJAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036437946 570706607 /nfs/dbraw/zinc/70/66/07/570706607.db2.gz MNVZAXASRIFKJS-AOMKIAJQSA-N 1 2 396.581 4.977 50 0 GJAALO Oc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067673934 570785478 /nfs/dbraw/zinc/78/54/78/570785478.db2.gz FVZUCPXIXXWBRY-UHFFFAOYSA-N 1 2 381.859 4.813 50 0 GJAALO Oc1cccc(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067673934 570785481 /nfs/dbraw/zinc/78/54/81/570785481.db2.gz FVZUCPXIXXWBRY-UHFFFAOYSA-N 1 2 381.859 4.813 50 0 GJAALO C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]c[nH+]1 ZINC000067772635 570790506 /nfs/dbraw/zinc/79/05/06/570790506.db2.gz BWDLJCGMEFGYRR-SFHVURJKSA-N 1 2 380.536 4.636 50 0 GJAALO C[C@@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)[nH+]1 ZINC000067773851 570790623 /nfs/dbraw/zinc/79/06/23/570790623.db2.gz UUQDDXMOZJURHG-CQSZACIVSA-N 1 2 396.874 4.560 50 0 GJAALO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1Cc1ccccc1 ZINC000007128416 570799803 /nfs/dbraw/zinc/79/98/03/570799803.db2.gz CHQCWNHXWAKDTF-HSZRJFAPSA-N 1 2 380.451 4.639 50 0 GJAALO Fc1ccc(C([NH2+]Cc2nc(-c3ccsc3)no2)c2ccc(F)cc2)cc1 ZINC000063471141 570813794 /nfs/dbraw/zinc/81/37/94/570813794.db2.gz PYRMORBXVARDFW-UHFFFAOYSA-N 1 2 383.423 4.956 50 0 GJAALO COc1ccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3[nH+]2)cc1 ZINC000004678344 570824060 /nfs/dbraw/zinc/82/40/60/570824060.db2.gz AQSIYRBSUYSQKB-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO C[NH+](C)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 ZINC000102723560 570858716 /nfs/dbraw/zinc/85/87/16/570858716.db2.gz OHZAFTKCLFYTAV-UHFFFAOYSA-N 1 2 376.485 4.643 50 0 GJAALO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2)c1C ZINC000072140577 570870002 /nfs/dbraw/zinc/87/00/02/570870002.db2.gz JKQKZFLLZQPDMB-UHFFFAOYSA-N 1 2 399.458 4.667 50 0 GJAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000065738050 570878796 /nfs/dbraw/zinc/87/87/96/570878796.db2.gz KBMCQCPNRRVTMZ-UHFFFAOYSA-N 1 2 377.444 4.670 50 0 GJAALO CC1=C[C@H](C)[C@]2(COC(=O)C[NH+]3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C ZINC000004026352 570904398 /nfs/dbraw/zinc/90/43/98/570904398.db2.gz HNJMMPWWHNRBHV-IRYUZJHDSA-N 1 2 397.559 4.622 50 0 biogenic GJAALO CCCCc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000016263037 570919807 /nfs/dbraw/zinc/91/98/07/570919807.db2.gz MPWINSVHZKFDHU-HXUWFJFHSA-N 1 2 381.907 4.936 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)[NH+]1CCC(C)CC1)S2 ZINC000023157154 570920430 /nfs/dbraw/zinc/92/04/30/570920430.db2.gz QDDLQMDCVDVUAJ-GOSISDBHSA-N 1 2 384.549 4.750 50 0 GJAALO C[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064408 570981179 /nfs/dbraw/zinc/98/11/79/570981179.db2.gz NGAGYLHIGIGWBX-WBVHZDCISA-N 1 2 395.311 4.800 50 0 GJAALO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064408 570981180 /nfs/dbraw/zinc/98/11/80/570981180.db2.gz NGAGYLHIGIGWBX-WBVHZDCISA-N 1 2 395.311 4.800 50 0 GJAALO Cc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000004787019 570990387 /nfs/dbraw/zinc/99/03/87/570990387.db2.gz DJALBJMKTXXBCS-JOCHJYFZSA-N 1 2 386.499 4.646 50 0 GJAALO Cc1cc2[nH+]c(Cc3ccccc3F)n([C@H](C)C(=O)NCC(C)C)c2cc1C ZINC000037397826 571005751 /nfs/dbraw/zinc/00/57/51/571005751.db2.gz XAONJZWIXCCWMR-QGZVFWFLSA-N 1 2 381.495 4.716 50 0 GJAALO CC[C@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)[nH+]c2cc(C)c(C)cc21 ZINC000037398815 571006545 /nfs/dbraw/zinc/00/65/45/571006545.db2.gz JKAORIMTNAYZBK-OAQYLSRUSA-N 1 2 377.532 4.967 50 0 GJAALO C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007737092 571028461 /nfs/dbraw/zinc/02/84/61/571028461.db2.gz JXLSUHXNKKZAAK-IBGZPJMESA-N 1 2 397.478 4.942 50 0 GJAALO Cc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC000037560397 571031819 /nfs/dbraw/zinc/03/18/19/571031819.db2.gz WEVKXOQDVNBMEU-UHFFFAOYSA-N 1 2 386.486 4.927 50 0 GJAALO COc1ccc(NC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1Cl ZINC000092077390 571043820 /nfs/dbraw/zinc/04/38/20/571043820.db2.gz BOIKBYSQVGFKTL-UHFFFAOYSA-N 1 2 376.888 4.538 50 0 GJAALO Cc1n[nH]c(-c2ccc(OCC[NH+]3CCC(C)CC3)cc2O)c1-c1ccccc1 ZINC000008771267 206295524 /nfs/dbraw/zinc/29/55/24/206295524.db2.gz NDUQAYUODBNJSU-UHFFFAOYSA-N 1 2 391.515 4.868 50 0 GJAALO COc1ccc(-c2cn3cc(-c4ccc(Br)cc4)[nH+]c3n2C)cc1 ZINC000004678598 206541497 /nfs/dbraw/zinc/54/14/97/206541497.db2.gz NEOOBDYDICEZQU-UHFFFAOYSA-N 1 2 382.261 4.778 50 0 GJAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000007738219 206722453 /nfs/dbraw/zinc/72/24/53/206722453.db2.gz WDMQZUKBYAJJEI-MRXNPFEDSA-N 1 2 399.450 4.826 50 0 GJAALO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000014011394 207007749 /nfs/dbraw/zinc/00/77/49/207007749.db2.gz ZUXRDCIRWJNKOT-HKWRFOASSA-N 1 2 389.480 4.784 50 0 GJAALO O=C(Cc1ccsc1)N1CCC(n2c3ccc(F)cc3[nH+]c2C2CCC2)CC1 ZINC000014968844 207035353 /nfs/dbraw/zinc/03/53/53/207035353.db2.gz WFRKQVYSARPNGA-UHFFFAOYSA-N 1 2 397.519 4.911 50 0 GJAALO CCn1cc(C[N@@H+]2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)c(C)n1 ZINC000015003586 207040911 /nfs/dbraw/zinc/04/09/11/207040911.db2.gz OKNYTRGUKZJIFE-UHFFFAOYSA-N 1 2 385.511 4.703 50 0 GJAALO CCn1cc(C[N@H+]2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)c(C)n1 ZINC000015003586 207040915 /nfs/dbraw/zinc/04/09/15/207040915.db2.gz OKNYTRGUKZJIFE-UHFFFAOYSA-N 1 2 385.511 4.703 50 0 GJAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019536890 207130591 /nfs/dbraw/zinc/13/05/91/207130591.db2.gz VBANWOHCRNNRNF-JXMROGBWSA-N 1 2 382.507 4.825 50 0 GJAALO CCNc1nc(SCc2ccc(F)cc2)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020432223 207192081 /nfs/dbraw/zinc/19/20/81/207192081.db2.gz APGJVKRCCILQTB-UHFFFAOYSA-N 1 2 388.537 4.542 50 0 GJAALO CCNc1nc(SCc2ccc(F)cc2)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020432223 207192089 /nfs/dbraw/zinc/19/20/89/207192089.db2.gz APGJVKRCCILQTB-UHFFFAOYSA-N 1 2 388.537 4.542 50 0 GJAALO CCC(CC)C(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022627659 207258234 /nfs/dbraw/zinc/25/82/34/207258234.db2.gz VPVFVSBDACVKQG-UHFFFAOYSA-N 1 2 386.486 4.635 50 0 GJAALO Cc1sc2[nH]c(C[N@@H+](C)Cc3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023749566 207283456 /nfs/dbraw/zinc/28/34/56/207283456.db2.gz FTYPSKJMIQVACQ-UHFFFAOYSA-N 1 2 389.524 4.900 50 0 GJAALO Cc1sc2[nH]c(C[N@H+](C)Cc3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023749566 207283459 /nfs/dbraw/zinc/28/34/59/207283459.db2.gz FTYPSKJMIQVACQ-UHFFFAOYSA-N 1 2 389.524 4.900 50 0 GJAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000023907590 207284084 /nfs/dbraw/zinc/28/40/84/207284084.db2.gz IVZCABCKZRBUNT-OAHLLOKOSA-N 1 2 387.508 4.771 50 0 GJAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000023907590 207284088 /nfs/dbraw/zinc/28/40/88/207284088.db2.gz IVZCABCKZRBUNT-OAHLLOKOSA-N 1 2 387.508 4.771 50 0 GJAALO CC(C)[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000025051021 207300753 /nfs/dbraw/zinc/30/07/53/207300753.db2.gz OTQGRPSQMCKTNU-PMACEKPBSA-N 1 2 381.907 4.719 50 0 GJAALO O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025538196 207303899 /nfs/dbraw/zinc/30/38/99/207303899.db2.gz UUGFFMFVIPASHM-UHFFFAOYSA-N 1 2 397.463 4.796 50 0 GJAALO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518782 208105526 /nfs/dbraw/zinc/10/55/26/208105526.db2.gz WRSOJGPZQAHZFN-CQSZACIVSA-N 1 2 381.426 4.562 50 0 GJAALO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518782 208105533 /nfs/dbraw/zinc/10/55/33/208105533.db2.gz WRSOJGPZQAHZFN-CQSZACIVSA-N 1 2 381.426 4.562 50 0 GJAALO Cc1ccc(C[N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(C)c1 ZINC000007674418 221005338 /nfs/dbraw/zinc/00/53/38/221005338.db2.gz KMMRXNLTADUPJW-UHFFFAOYSA-N 1 2 389.524 4.900 50 0 GJAALO Cc1ccc(C[N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(C)c1 ZINC000007674418 221005342 /nfs/dbraw/zinc/00/53/42/221005342.db2.gz KMMRXNLTADUPJW-UHFFFAOYSA-N 1 2 389.524 4.900 50 0 GJAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1F ZINC000008074937 221026349 /nfs/dbraw/zinc/02/63/49/221026349.db2.gz KAKACVWBNLXOIH-UHFFFAOYSA-N 1 2 394.446 4.697 50 0 GJAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1F ZINC000008074937 221026352 /nfs/dbraw/zinc/02/63/52/221026352.db2.gz KAKACVWBNLXOIH-UHFFFAOYSA-N 1 2 394.446 4.697 50 0 GJAALO Cc1ccc(C)c(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000009477206 221083342 /nfs/dbraw/zinc/08/33/42/221083342.db2.gz SQYVZOWEAAFECG-INIZCTEOSA-N 1 2 384.524 4.938 50 0 GJAALO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)n[nH]1 ZINC000012315922 221181229 /nfs/dbraw/zinc/18/12/29/221181229.db2.gz LMCYEGSOYNQVMV-NRFANRHFSA-N 1 2 388.515 4.544 50 0 GJAALO Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)n[nH]1 ZINC000012315922 221181233 /nfs/dbraw/zinc/18/12/33/221181233.db2.gz LMCYEGSOYNQVMV-NRFANRHFSA-N 1 2 388.515 4.544 50 0 GJAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012555909 221207068 /nfs/dbraw/zinc/20/70/68/221207068.db2.gz FXTGECIHNGTQOV-INIZCTEOSA-N 1 2 382.533 4.981 50 0 GJAALO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012555909 221207069 /nfs/dbraw/zinc/20/70/69/221207069.db2.gz FXTGECIHNGTQOV-INIZCTEOSA-N 1 2 382.533 4.981 50 0 GJAALO Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C(C)C ZINC000012575461 221208126 /nfs/dbraw/zinc/20/81/26/221208126.db2.gz LKXKKQVQXYVZGQ-GOSISDBHSA-N 1 2 377.488 4.560 50 0 GJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2ncn(-c3ccccc3C)c2=S)cc1 ZINC000012597729 221213132 /nfs/dbraw/zinc/21/31/32/221213132.db2.gz DDRFRJFSFCJEMP-FQEVSTJZSA-N 1 2 380.517 4.515 50 0 GJAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(-c3ccccc3C)c2=S)cc1 ZINC000012597729 221213133 /nfs/dbraw/zinc/21/31/33/221213133.db2.gz DDRFRJFSFCJEMP-FQEVSTJZSA-N 1 2 380.517 4.515 50 0 GJAALO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl ZINC000012810344 221234897 /nfs/dbraw/zinc/23/48/97/221234897.db2.gz COMUHSXEPBAAIR-OAHLLOKOSA-N 1 2 388.792 4.531 50 0 GJAALO C[N@H+](CCOc1ccccc1Cl)Cc1nnc(-c2ccccc2Cl)o1 ZINC000012855391 221238971 /nfs/dbraw/zinc/23/89/71/221238971.db2.gz BBGNVSJKWAPBQJ-UHFFFAOYSA-N 1 2 378.259 4.554 50 0 GJAALO C[N@@H+](CCOc1ccccc1Cl)Cc1nnc(-c2ccccc2Cl)o1 ZINC000012855391 221238973 /nfs/dbraw/zinc/23/89/73/221238973.db2.gz BBGNVSJKWAPBQJ-UHFFFAOYSA-N 1 2 378.259 4.554 50 0 GJAALO Cc1sc2ncnc(NC[C@@H](c3c(F)cccc3Cl)[NH+](C)C)c2c1C ZINC000013040026 221258956 /nfs/dbraw/zinc/25/89/56/221258956.db2.gz HJWJDSTVTKWULY-AWEZNQCLSA-N 1 2 378.904 4.815 50 0 GJAALO Cc1cccc(OCC(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863742 221349746 /nfs/dbraw/zinc/34/97/46/221349746.db2.gz KGWNQROLLCCJRE-UHFFFAOYSA-N 1 2 385.467 4.674 50 0 GJAALO Clc1cccc(-n2ncc3c2nc[nH+]c3NCCc2c[nH]c3ccccc23)c1 ZINC000017200819 221381178 /nfs/dbraw/zinc/38/11/78/221381178.db2.gz LSIXLZHOCBZESP-UHFFFAOYSA-N 1 2 388.862 4.605 50 0 GJAALO C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030016245 221697362 /nfs/dbraw/zinc/69/73/62/221697362.db2.gz UMZGPEBPQBHYJP-AWEZNQCLSA-N 1 2 392.846 4.672 50 0 GJAALO Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@H](C)C(=O)N3CCCC3)c2cc1C ZINC000037397132 221869683 /nfs/dbraw/zinc/86/96/83/221869683.db2.gz YCKTZWMFRUYEJJ-QGZVFWFLSA-N 1 2 379.479 4.566 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406587 222031808 /nfs/dbraw/zinc/03/18/08/222031808.db2.gz KRKYIIDGIGPGNW-HXUWFJFHSA-N 1 2 388.467 4.612 50 0 GJAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406587 222031811 /nfs/dbraw/zinc/03/18/11/222031811.db2.gz KRKYIIDGIGPGNW-HXUWFJFHSA-N 1 2 388.467 4.612 50 0 GJAALO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccccc4Cl)CC3)c2c1 ZINC000053055549 222008158 /nfs/dbraw/zinc/00/81/58/222008158.db2.gz SXWDISJBLPYSGY-UHFFFAOYSA-N 1 2 395.890 4.558 50 0 GJAALO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccccc4Cl)CC3)c2c1 ZINC000053055549 222008161 /nfs/dbraw/zinc/00/81/61/222008161.db2.gz SXWDISJBLPYSGY-UHFFFAOYSA-N 1 2 395.890 4.558 50 0 GJAALO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000058096388 222039896 /nfs/dbraw/zinc/03/98/96/222039896.db2.gz WCTSYAMCBBSCMD-UHFFFAOYSA-N 1 2 377.916 4.650 50 0 GJAALO Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000058096388 222039900 /nfs/dbraw/zinc/03/99/00/222039900.db2.gz WCTSYAMCBBSCMD-UHFFFAOYSA-N 1 2 377.916 4.650 50 0 GJAALO CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2Cc2cc[nH+]c(C)c2)cc1 ZINC000065435316 222129462 /nfs/dbraw/zinc/12/94/62/222129462.db2.gz AAMTXXSABPJZQI-UHFFFAOYSA-N 1 2 382.467 4.927 50 0 GJAALO CCCc1ncc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)cn1 ZINC000071315480 222181050 /nfs/dbraw/zinc/18/10/50/222181050.db2.gz WUAWPHJQAOSGOP-UHFFFAOYSA-N 1 2 384.483 4.796 50 0 GJAALO CCCc1ncc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)cn1 ZINC000071315480 222181052 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GJAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000072303662 535702407 /nfs/dbraw/zinc/70/24/07/535702407.db2.gz FBBQCLHPDVQOAO-UHFFFAOYSA-N 1 2 392.330 4.767 50 0 GJAALO Cc1nc2ccccn2c1C[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000019958437 570233400 /nfs/dbraw/zinc/23/34/00/570233400.db2.gz LLFKQJXJGPMZML-UHFFFAOYSA-N 1 2 380.879 4.892 50 0 GJAALO Cc1nc2ccccn2c1C[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000019958437 570233403 /nfs/dbraw/zinc/23/34/03/570233403.db2.gz LLFKQJXJGPMZML-UHFFFAOYSA-N 1 2 380.879 4.892 50 0 GJAALO CC[C@H](C)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000020363751 570253472 /nfs/dbraw/zinc/25/34/72/570253472.db2.gz LSKSHUZXLJUOSF-SFHVURJKSA-N 1 2 397.588 4.723 50 0 GJAALO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020600032 570269538 /nfs/dbraw/zinc/26/95/38/570269538.db2.gz WNXFDQOFFSCOFB-HNNXBMFYSA-N 1 2 387.405 4.677 50 0 GJAALO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000020600032 570269539 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Cc1[nH]c2cc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)ccc2[nH+]1 ZINC000024833303 570394993 /nfs/dbraw/zinc/39/49/93/570394993.db2.gz CKLPLPQPENEIOI-UHFFFAOYSA-N 1 2 384.798 4.880 50 0 GJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccn2)cc1 ZINC000004731514 570398845 /nfs/dbraw/zinc/39/88/45/570398845.db2.gz HROJWVJAMQFEGM-JOCHJYFZSA-N 1 2 395.466 4.667 50 0 GJAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000033084617 570401543 /nfs/dbraw/zinc/40/15/43/570401543.db2.gz RTTYIADXJGBAEV-UHFFFAOYSA-N 1 2 395.890 4.814 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2[nH+]1 ZINC000004757332 570403653 /nfs/dbraw/zinc/40/36/53/570403653.db2.gz RSMKRDIAVCGWQO-UHFFFAOYSA-N 1 2 393.487 4.659 50 0 GJAALO Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(F)cc3F)[nH+]c12 ZINC000025075088 570405432 /nfs/dbraw/zinc/40/54/32/570405432.db2.gz UQDKNZCKOGCBGV-UHFFFAOYSA-N 1 2 393.393 4.752 50 0 GJAALO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc(-c4ccco4)no3)CC2)c(C)c1 ZINC000026644485 570427496 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CC(C)CN(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)C1CCC1 ZINC000006689212 570533949 /nfs/dbraw/zinc/53/39/49/570533949.db2.gz DXYOXEACQLEKKD-UHFFFAOYSA-N 1 2 377.891 4.509 50 0 GJAALO COc1ccc([C@@H](CC(=O)N(C)Cc2c[nH+]c3ccccn23)c2ccccc2)cc1 ZINC000039442129 570591446 /nfs/dbraw/zinc/59/14/46/570591446.db2.gz YYMGTIUFOHFDFQ-QHCPKHFHSA-N 1 2 399.494 4.524 50 0 GJAALO CCc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000002662076 570593723 /nfs/dbraw/zinc/59/37/23/570593723.db2.gz ZPIYFTXGRCDUBX-UHFFFAOYSA-N 1 2 386.495 4.551 50 0 GJAALO CCc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000002662076 570593727 /nfs/dbraw/zinc/59/37/27/570593727.db2.gz ZPIYFTXGRCDUBX-UHFFFAOYSA-N 1 2 386.495 4.551 50 0 GJAALO Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000041120854 570615552 /nfs/dbraw/zinc/61/55/52/570615552.db2.gz NUUWUFIYSFAQBM-UHFFFAOYSA-N 1 2 378.925 4.686 50 0 GJAALO COc1cccc(CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000005574031 570656643 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/nfs/dbraw/zinc/83/82/05/570838205.db2.gz KJWXGWNZALELFF-UHFFFAOYSA-N 1 2 377.366 4.595 50 0 GJAALO CN(C)c1ccc(C2=[NH+]N(C(=S)NCc3ccccc3)[C@H](C(C)(C)C)C2)cc1 ZINC000170608976 570866805 /nfs/dbraw/zinc/86/68/05/570866805.db2.gz IXRHVZWWQNFNKX-NRFANRHFSA-N 1 2 394.588 4.652 50 0 GJAALO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1csc(-c2ccsc2)n1 ZINC000170611645 570867382 /nfs/dbraw/zinc/86/73/82/570867382.db2.gz LEEPALNGIVOOPG-UHFFFAOYSA-N 1 2 381.482 4.723 50 0 GJAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000096931028 570910414 /nfs/dbraw/zinc/91/04/14/570910414.db2.gz XWLFEECASLNBSR-UHFFFAOYSA-N 1 2 389.480 4.553 50 0 GJAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000096931028 570910421 /nfs/dbraw/zinc/91/04/21/570910421.db2.gz XWLFEECASLNBSR-UHFFFAOYSA-N 1 2 389.480 4.553 50 0 GJAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000089768349 570912082 /nfs/dbraw/zinc/91/20/82/570912082.db2.gz OAHDXFJUHWCCON-MRXNPFEDSA-N 1 2 383.801 4.529 50 0 GJAALO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000089768349 570912085 /nfs/dbraw/zinc/91/20/85/570912085.db2.gz OAHDXFJUHWCCON-MRXNPFEDSA-N 1 2 383.801 4.529 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000023156948 570920189 /nfs/dbraw/zinc/92/01/89/570920189.db2.gz ALQIHKKHRCNQNN-MKBNYLNASA-N 1 2 390.940 4.526 50 0 GJAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(N(C)C)cc1)c2Nc1ccc2c(c1)OCO2 ZINC000004735068 570949082 /nfs/dbraw/zinc/94/90/82/570949082.db2.gz QAMSRVWJJNMYQY-UHFFFAOYSA-N 1 2 386.455 4.848 50 0 aggregator GJAALO Cc1ccc(C)c(CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033287234 570955470 /nfs/dbraw/zinc/95/54/70/570955470.db2.gz QVPIUCYXYQAQNV-UHFFFAOYSA-N 1 2 391.540 4.650 50 0 GJAALO Cc1ccc(C)c(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033287234 570955471 /nfs/dbraw/zinc/95/54/71/570955471.db2.gz QVPIUCYXYQAQNV-UHFFFAOYSA-N 1 2 391.540 4.650 50 0 GJAALO Cn1c(=S)n(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000252444026 570957227 /nfs/dbraw/zinc/95/72/27/570957227.db2.gz SUUKMYRYSFDUBL-HOCLYGCPSA-N 1 2 376.957 4.741 50 0 GJAALO Cn1c(=S)n(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000252444026 570957228 /nfs/dbraw/zinc/95/72/28/570957228.db2.gz SUUKMYRYSFDUBL-HOCLYGCPSA-N 1 2 376.957 4.741 50 0 GJAALO COc1cccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000012135093 570960237 /nfs/dbraw/zinc/96/02/37/570960237.db2.gz HROKGLFNAPTUNG-UHFFFAOYSA-N 1 2 394.544 4.554 50 0 GJAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000019635715 571022289 /nfs/dbraw/zinc/02/22/89/571022289.db2.gz HAVQFNKGUYAOAE-MRXNPFEDSA-N 1 2 392.381 4.697 50 0 GJAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000019635715 571022290 /nfs/dbraw/zinc/02/22/90/571022290.db2.gz HAVQFNKGUYAOAE-MRXNPFEDSA-N 1 2 392.381 4.697 50 0 GJAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000012771710 571026246 /nfs/dbraw/zinc/02/62/46/571026246.db2.gz QSBJNGBMNWYYLP-UHFFFAOYSA-N 1 2 384.332 4.934 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 ZINC000007741822 571030337 /nfs/dbraw/zinc/03/03/37/571030337.db2.gz QCMISQKIJVQSIF-XJKSGUPXSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 ZINC000007741822 571030339 /nfs/dbraw/zinc/03/03/39/571030339.db2.gz QCMISQKIJVQSIF-XJKSGUPXSA-N 1 2 385.489 4.713 50 0 GJAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(-c2ccsc2)cc1 ZINC000244998623 212133298 /nfs/dbraw/zinc/13/32/98/212133298.db2.gz KMTCETRZYJNINA-HXUWFJFHSA-N 1 2 398.553 4.528 50 0 GJAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccccc1C(F)(F)F)CC(C)C ZINC000006690300 206663224 /nfs/dbraw/zinc/66/32/24/206663224.db2.gz BJBDDDNPKHOWEK-UHFFFAOYSA-N 1 2 395.469 4.981 50 0 GJAALO Cc1ccccc1Cn1cc[nH+]c1CN(CC(C)C)C(=O)c1cccc(F)c1 ZINC000006689267 206663760 /nfs/dbraw/zinc/66/37/60/206663760.db2.gz AYNVXCJBWTYUNC-UHFFFAOYSA-N 1 2 379.479 4.677 50 0 GJAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2nc(NC(C)C)sc2=S)cc1 ZINC000014187692 207013242 /nfs/dbraw/zinc/01/32/42/207013242.db2.gz CXKYGQSLRJVZIM-MRXNPFEDSA-N 1 2 378.567 4.688 50 0 GJAALO CCOc1ccc([C@H]2CCC[N@H+]2Cn2nc(NC(C)C)sc2=S)cc1 ZINC000014187692 207013244 /nfs/dbraw/zinc/01/32/44/207013244.db2.gz CXKYGQSLRJVZIM-MRXNPFEDSA-N 1 2 378.567 4.688 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1 ZINC000016262949 207074902 /nfs/dbraw/zinc/07/49/02/207074902.db2.gz HSEXMQCDVAFYLZ-LJQANCHMSA-N 1 2 399.947 4.923 50 0 GJAALO Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000018048216 207092131 /nfs/dbraw/zinc/09/21/31/207092131.db2.gz NGKFHWXUNJQCCB-SFHVURJKSA-N 1 2 377.488 4.560 50 0 GJAALO COc1ccccc1N1CC[NH+](Cc2nc3ccccc3c(C)c2Cl)CC1 ZINC000020680486 207210403 /nfs/dbraw/zinc/21/04/03/207210403.db2.gz ZFQCEQCCILLQDM-UHFFFAOYSA-N 1 2 381.907 4.527 50 0 GJAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 ZINC000025159278 207302056 /nfs/dbraw/zinc/30/20/56/207302056.db2.gz AGJYRHBCSXAZIT-HXUWFJFHSA-N 1 2 379.529 4.660 50 0 GJAALO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c(C)c1 ZINC000026641372 207317249 /nfs/dbraw/zinc/31/72/49/207317249.db2.gz HFHHYBIHPTZLEQ-UHFFFAOYSA-N 1 2 381.501 4.510 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000096129846 208267079 /nfs/dbraw/zinc/26/70/79/208267079.db2.gz CNGYVULDENODEZ-JQCPSUHGSA-N 1 2 391.490 4.776 50 0 GJAALO CCOc1ccc(C[N@H+](C)Cn2nc(C=Cc3ccc(C)o3)[nH]c2=S)cc1 ZINC000096973122 208330792 /nfs/dbraw/zinc/33/07/92/208330792.db2.gz CDOGYJOCJCFPRF-QXMHVHEDSA-N 1 2 384.505 4.501 50 0 GJAALO CCOc1ccc(C[N@@H+](C)Cn2nc(C=Cc3ccc(C)o3)[nH]c2=S)cc1 ZINC000096973122 208330796 /nfs/dbraw/zinc/33/07/96/208330796.db2.gz CDOGYJOCJCFPRF-QXMHVHEDSA-N 1 2 384.505 4.501 50 0 GJAALO Cc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000028402692 208947132 /nfs/dbraw/zinc/94/71/32/208947132.db2.gz VCIRZIROHCVZRN-UHFFFAOYSA-N 1 2 387.508 4.865 50 0 GJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000009573401 221085492 /nfs/dbraw/zinc/08/54/92/221085492.db2.gz SZJXSWNTQQJTMR-UHFFFAOYSA-N 1 2 393.466 4.766 50 0 GJAALO CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)C2)cc1 ZINC000011663949 221120323 /nfs/dbraw/zinc/12/03/23/221120323.db2.gz RBHGYPVMYDBIEU-HXUWFJFHSA-N 1 2 388.515 4.917 50 0 GJAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012927036 221247096 /nfs/dbraw/zinc/24/70/96/221247096.db2.gz JHNJYNSHVIICGT-HSZRJFAPSA-N 1 2 392.524 4.733 50 0 GJAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012927036 221247099 /nfs/dbraw/zinc/24/70/99/221247099.db2.gz JHNJYNSHVIICGT-HSZRJFAPSA-N 1 2 392.524 4.733 50 0 GJAALO Cc1cccc(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)[nH+]1 ZINC000013284594 221265217 /nfs/dbraw/zinc/26/52/17/221265217.db2.gz NMVYCTOYLLZKJP-GHRIWEEISA-N 1 2 389.842 4.683 50 0 GJAALO Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)[nH+]c1 ZINC000013207169 221263096 /nfs/dbraw/zinc/26/30/96/221263096.db2.gz WNIOFERYZYWZNG-KGENOOAVSA-N 1 2 383.451 4.647 50 0 GJAALO CCc1cc2c(C[N@H+](Cc3ccco3)Cc3cccs3)cc(=O)oc2cc1O ZINC000057763547 222036115 /nfs/dbraw/zinc/03/61/15/222036115.db2.gz SWNRZVXNFSEOFH-UHFFFAOYSA-N 1 2 395.480 4.918 50 0 GJAALO CCc1cc2c(C[N@@H+](Cc3ccco3)Cc3cccs3)cc(=O)oc2cc1O ZINC000057763547 222036119 /nfs/dbraw/zinc/03/61/19/222036119.db2.gz SWNRZVXNFSEOFH-UHFFFAOYSA-N 1 2 395.480 4.918 50 0 GJAALO O=C(/C=C/c1c(F)cccc1F)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000058356523 222050656 /nfs/dbraw/zinc/05/06/56/222050656.db2.gz HOWXZQHMGWDETL-ZHACJKMWSA-N 1 2 379.410 4.817 50 0 GJAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)c1C ZINC000058413560 222052307 /nfs/dbraw/zinc/05/23/07/222052307.db2.gz DAUXNWHJPDMYDH-UHFFFAOYSA-N 1 2 392.524 4.806 50 0 GJAALO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000059831896 222058311 /nfs/dbraw/zinc/05/83/11/222058311.db2.gz ZBLCGWCQABYAEN-JTQLQIEISA-N 1 2 396.285 4.893 50 0 GJAALO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000059831896 222058315 /nfs/dbraw/zinc/05/83/15/222058315.db2.gz ZBLCGWCQABYAEN-JTQLQIEISA-N 1 2 396.285 4.893 50 0 GJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000069565925 222173973 /nfs/dbraw/zinc/17/39/73/222173973.db2.gz XACWVNXJVCPYBK-INIZCTEOSA-N 1 2 398.812 4.840 50 0 GJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000069565925 222173976 /nfs/dbraw/zinc/17/39/76/222173976.db2.gz XACWVNXJVCPYBK-INIZCTEOSA-N 1 2 398.812 4.840 50 0 GJAALO O=C(CCc1ccccc1)NC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000071843979 222200270 /nfs/dbraw/zinc/20/02/70/222200270.db2.gz MAXHBJAKURPUEK-UHFFFAOYSA-N 1 2 397.588 4.514 50 0 GJAALO FC(F)(F)c1nnc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000077198039 222275730 /nfs/dbraw/zinc/27/57/30/222275730.db2.gz JYCJKZTWUUGBBM-UHFFFAOYSA-N 1 2 380.197 4.775 50 0 GJAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000025183465 527349136 /nfs/dbraw/zinc/34/91/36/527349136.db2.gz LGXKYEUZKIUDBZ-UHFFFAOYSA-N 1 2 394.434 4.992 50 0 GJAALO Cc1ccc(Cn2c3ccccc3[nH+]c2NCc2nc3ccccc3n2C)cc1 ZINC000000970704 570232246 /nfs/dbraw/zinc/23/22/46/570232246.db2.gz OTIJZSLFLVUWCZ-UHFFFAOYSA-N 1 2 381.483 4.892 50 0 GJAALO O=C(c1ccccc1F)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023313450 570239672 /nfs/dbraw/zinc/23/96/72/570239672.db2.gz DLLOAIAXBMWWJN-HSZRJFAPSA-N 1 2 392.449 4.512 50 0 GJAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149126 570244115 /nfs/dbraw/zinc/24/41/15/570244115.db2.gz FGGJBOYDIFAKAY-HXUWFJFHSA-N 1 2 399.494 4.820 50 0 GJAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149126 570244117 /nfs/dbraw/zinc/24/41/17/570244117.db2.gz FGGJBOYDIFAKAY-HXUWFJFHSA-N 1 2 399.494 4.820 50 0 GJAALO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O ZINC000020266010 570250534 /nfs/dbraw/zinc/25/05/34/570250534.db2.gz GJAKKWITKHYLOY-GZTJUZNOSA-N 1 2 390.892 4.936 50 0 GJAALO Cc1cccn2cc(CSc3nnc(COc4ccc(Cl)cc4)o3)[nH+]c12 ZINC000012249654 570277706 /nfs/dbraw/zinc/27/77/06/570277706.db2.gz ZJWGKMWOCRNVMZ-UHFFFAOYSA-N 1 2 386.864 4.550 50 0 GJAALO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012909098 570291211 /nfs/dbraw/zinc/29/12/11/570291211.db2.gz CLJBSRIKGZFGFB-ADLMAVQZSA-N 1 2 381.278 4.803 50 0 GJAALO Cc1ccsc1C[N@@H+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000012913761 570291828 /nfs/dbraw/zinc/29/18/28/570291828.db2.gz FGTIKQVSNVCHTM-UHFFFAOYSA-N 1 2 378.954 4.731 50 0 GJAALO Cc1ccsc1C[N@H+](C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000012913761 570291829 /nfs/dbraw/zinc/29/18/29/570291829.db2.gz FGTIKQVSNVCHTM-UHFFFAOYSA-N 1 2 378.954 4.731 50 0 GJAALO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000022025281 570302778 /nfs/dbraw/zinc/30/27/78/570302778.db2.gz ISJXCTZHVQJFFJ-KRWDZBQOSA-N 1 2 396.922 4.577 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000016261750 570321722 /nfs/dbraw/zinc/32/17/22/570321722.db2.gz ZYWUSWXAUNBUAY-INIZCTEOSA-N 1 2 394.689 4.900 50 0 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208108189 /nfs/dbraw/zinc/10/81/89/208108189.db2.gz GKFNDDAEHVLHBE-KRWDZBQOSA-N 1 2 393.874 4.702 50 0 GJAALO O=C(C[C@@H]1OCCc2ccsc21)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000089779638 208109178 /nfs/dbraw/zinc/10/91/78/208109178.db2.gz ACJLWNABMGWVHC-IBGZPJMESA-N 1 2 393.512 4.591 50 0 GJAALO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4csc([C@H](C)OC)n4)CC3)c2c1 ZINC000089913568 208112051 /nfs/dbraw/zinc/11/20/51/208112051.db2.gz MCFVFHCHTSSZJQ-AWEZNQCLSA-N 1 2 383.517 4.630 50 0 GJAALO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4csc([C@H](C)OC)n4)CC3)c2c1 ZINC000089913568 208112056 /nfs/dbraw/zinc/11/20/56/208112056.db2.gz MCFVFHCHTSSZJQ-AWEZNQCLSA-N 1 2 383.517 4.630 50 0 GJAALO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008161323 221028910 /nfs/dbraw/zinc/02/89/10/221028910.db2.gz SQRNOQFYZQTGFN-LJQANCHMSA-N 1 2 392.547 4.716 50 0 GJAALO COc1ccc(Nc2cc(C)c3cc(NC(=O)c4ccccn4)ccc3[nH+]2)cc1 ZINC000009152166 221071789 /nfs/dbraw/zinc/07/17/89/221071789.db2.gz WFDSPGVPIYUSPP-UHFFFAOYSA-N 1 2 384.439 4.943 50 0 GJAALO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000011878526 221135068 /nfs/dbraw/zinc/13/50/68/221135068.db2.gz NBLDVIBHMOQNKB-HXUWFJFHSA-N 1 2 381.451 4.535 50 0 GJAALO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(Cc3ccccc3F)no2)c1 ZINC000011878526 221135069 /nfs/dbraw/zinc/13/50/69/221135069.db2.gz NBLDVIBHMOQNKB-HXUWFJFHSA-N 1 2 381.451 4.535 50 0 GJAALO CSCc1c2ccccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012746717 221223394 /nfs/dbraw/zinc/22/33/94/221223394.db2.gz KCBGODWPZFZISN-LJQANCHMSA-N 1 2 391.496 4.549 50 0 GJAALO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818406 221235667 /nfs/dbraw/zinc/23/56/67/221235667.db2.gz KHDYGJPZOLRSLZ-ADLMAVQZSA-N 1 2 381.278 4.803 50 0 GJAALO CCc1[nH+]c(SCc2nnsc2Cl)nc(N)c1-c1ccc(Cl)cc1 ZINC000012822653 221237460 /nfs/dbraw/zinc/23/74/60/221237460.db2.gz CTLXXSGDRNLJIH-UHFFFAOYSA-N 1 2 398.344 4.739 50 0 GJAALO Cc1sc2ncnc(NC[C@H](c3c(F)cccc3Cl)[NH+](C)C)c2c1C ZINC000013040027 221259254 /nfs/dbraw/zinc/25/92/54/221259254.db2.gz HJWJDSTVTKWULY-CQSZACIVSA-N 1 2 378.904 4.815 50 0 GJAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000015069404 221328825 /nfs/dbraw/zinc/32/88/25/221328825.db2.gz FTSBAYXBZOFUDB-QGZVFWFLSA-N 1 2 395.478 4.584 50 0 GJAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000015069404 221328827 /nfs/dbraw/zinc/32/88/27/221328827.db2.gz FTSBAYXBZOFUDB-QGZVFWFLSA-N 1 2 395.478 4.584 50 0 GJAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4n[nH]c5c4CCCC5)c3)[nH+]c2c1 ZINC000015863611 221350533 /nfs/dbraw/zinc/35/05/33/221350533.db2.gz DKRWNKLGLUYWES-UHFFFAOYSA-N 1 2 399.498 4.511 50 0 GJAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000016382454 221361959 /nfs/dbraw/zinc/36/19/59/221361959.db2.gz UCEKIWXAKBHFIM-SFHVURJKSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000016382454 221361962 /nfs/dbraw/zinc/36/19/62/221361962.db2.gz UCEKIWXAKBHFIM-SFHVURJKSA-N 1 2 399.878 4.744 50 0 GJAALO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055211910 222018208 /nfs/dbraw/zinc/01/82/08/222018208.db2.gz KDUVPMIMMLWJAS-UHFFFAOYSA-N 1 2 395.812 4.965 50 0 GJAALO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055211910 222018211 /nfs/dbraw/zinc/01/82/11/222018211.db2.gz KDUVPMIMMLWJAS-UHFFFAOYSA-N 1 2 395.812 4.965 50 0 GJAALO CCOc1ccc(Cl)c(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)n1 ZINC000055320072 222021302 /nfs/dbraw/zinc/02/13/02/222021302.db2.gz ZDZDSHRHQGBBPB-UHFFFAOYSA-N 1 2 396.878 4.586 50 0 GJAALO CSc1cccc(NC(=S)N2CCC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000058096608 222038965 /nfs/dbraw/zinc/03/89/65/222038965.db2.gz FTODNNJQFPXFFV-UHFFFAOYSA-N 1 2 391.993 4.924 50 0 GJAALO CSc1cccc(NC(=S)N2CCC[N@@H+](Cc3cccc(Cl)c3)C2)c1 ZINC000058096608 222038967 /nfs/dbraw/zinc/03/89/67/222038967.db2.gz FTODNNJQFPXFFV-UHFFFAOYSA-N 1 2 391.993 4.924 50 0 GJAALO Cc1cccc(C)c1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471761 222072974 /nfs/dbraw/zinc/07/29/74/222072974.db2.gz ALWHGVBEPPBGJW-UHFFFAOYSA-N 1 2 377.513 4.784 50 0 GJAALO CCc1cc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)nc(C)[nH+]1 ZINC000067921728 222166521 /nfs/dbraw/zinc/16/65/21/222166521.db2.gz RLRGOWNORBWLKD-UHFFFAOYSA-N 1 2 395.890 4.772 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)COc3cccc(C)c3)ccc2[nH+]1 ZINC000004757352 520876000 /nfs/dbraw/zinc/87/60/00/520876000.db2.gz JDPDQYSBRUXTRE-UHFFFAOYSA-N 1 2 377.488 4.715 50 0 GJAALO Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095496752 526674890 /nfs/dbraw/zinc/67/48/90/526674890.db2.gz FJUBETPPFOJTPD-QGZVFWFLSA-N 1 2 386.565 4.591 50 0 GJAALO CCC[C@H]1CCCN1C(=O)c1csc2c1CC[N@H+](Cc1ccc(CC)cn1)C2 ZINC000426497336 528377587 /nfs/dbraw/zinc/37/75/87/528377587.db2.gz YKLYVZTVHKDXAB-IBGZPJMESA-N 1 2 397.588 4.669 50 0 GJAALO CCC[C@H]1CCCN1C(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426497336 528377591 /nfs/dbraw/zinc/37/75/91/528377591.db2.gz YKLYVZTVHKDXAB-IBGZPJMESA-N 1 2 397.588 4.669 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3C)C2)nc[nH+]1 ZINC000065242364 535193662 /nfs/dbraw/zinc/19/36/62/535193662.db2.gz WNDRIMUEJNTBFX-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3C)C2)[nH+]cn1 ZINC000065242364 535193666 /nfs/dbraw/zinc/19/36/66/535193666.db2.gz WNDRIMUEJNTBFX-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019880115 570227026 /nfs/dbraw/zinc/22/70/26/570227026.db2.gz VFRGZQJNSXWLTN-UHFFFAOYSA-N 1 2 394.902 4.866 50 0 GJAALO CCC[C@@H](C)C(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022626907 570227463 /nfs/dbraw/zinc/22/74/63/570227463.db2.gz LAONLOHSAFHWML-QGZVFWFLSA-N 1 2 386.486 4.635 50 0 GJAALO c1ccc(Cc2noc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048299409 570233834 /nfs/dbraw/zinc/23/38/34/570233834.db2.gz BPBGZZRZFSIAQB-HSZRJFAPSA-N 1 2 381.479 4.808 50 0 GJAALO c1ccc(Cc2noc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048299409 570233837 /nfs/dbraw/zinc/23/38/37/570233837.db2.gz BPBGZZRZFSIAQB-HSZRJFAPSA-N 1 2 381.479 4.808 50 0 GJAALO Cc1ccccc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310807 570235721 /nfs/dbraw/zinc/23/57/21/570235721.db2.gz NWSARMIIILJELM-XMMPIXPASA-N 1 2 388.486 4.682 50 0 GJAALO CCn1c(=S)n(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365734 570245976 /nfs/dbraw/zinc/24/59/76/570245976.db2.gz SYUQHXRUDKFILL-FQEVSTJZSA-N 1 2 391.544 4.605 50 0 GJAALO CCn1c(=S)n(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365734 570245978 /nfs/dbraw/zinc/24/59/78/570245978.db2.gz SYUQHXRUDKFILL-FQEVSTJZSA-N 1 2 391.544 4.605 50 0 GJAALO CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000022912477 570333582 /nfs/dbraw/zinc/33/35/82/570333582.db2.gz MKVIDYLDRDWNRO-UHFFFAOYSA-N 1 2 397.563 4.673 50 0 GJAALO CC(C)n1c2ccccc2[nH+]c1N1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000034907149 570339380 /nfs/dbraw/zinc/33/93/80/570339380.db2.gz IFVSTLQGCIRYMZ-UHFFFAOYSA-N 1 2 382.552 4.673 50 0 GJAALO Cc1ccc2[nH+]cn(C3CCN(C(=O)[C@@H](c4ccccc4)C(C)C)CC3)c2c1 ZINC000034915428 570344238 /nfs/dbraw/zinc/34/42/38/570344238.db2.gz KQVUPRSDDRMGQM-HSZRJFAPSA-N 1 2 375.516 4.948 50 0 GJAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000023129841 570345655 /nfs/dbraw/zinc/34/56/55/570345655.db2.gz FQPNSEHHOMCZDP-OAHLLOKOSA-N 1 2 387.405 4.677 50 0 GJAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000023129841 570345659 /nfs/dbraw/zinc/34/56/59/570345659.db2.gz FQPNSEHHOMCZDP-OAHLLOKOSA-N 1 2 387.405 4.677 50 0 GJAALO C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1cnc(N2CCCC2)s1 ZINC000219016641 570345923 /nfs/dbraw/zinc/34/59/23/570345923.db2.gz YDTNTBGAHJWTAK-UHFFFAOYSA-N 1 2 376.576 4.560 50 0 GJAALO C[N@H+](Cc1csc(-c2cccs2)n1)Cc1cnc(N2CCCC2)s1 ZINC000219016641 570345925 /nfs/dbraw/zinc/34/59/25/570345925.db2.gz YDTNTBGAHJWTAK-UHFFFAOYSA-N 1 2 376.576 4.560 50 0 GJAALO Fc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Br ZINC000055543745 570350992 /nfs/dbraw/zinc/35/09/92/570350992.db2.gz ZPMXMUUQZYKBDJ-UHFFFAOYSA-N 1 2 383.692 4.564 50 0 GJAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000575618518 570363010 /nfs/dbraw/zinc/36/30/10/570363010.db2.gz BYXCFNBSPSDVMH-UHFFFAOYSA-N 1 2 396.288 4.901 50 0 GJAALO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000004342453 570369620 /nfs/dbraw/zinc/36/96/20/570369620.db2.gz IPSABLMEYFYEHS-HSZRJFAPSA-N 1 2 384.479 4.521 50 0 GJAALO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000004342453 570369623 /nfs/dbraw/zinc/36/96/23/570369623.db2.gz IPSABLMEYFYEHS-HSZRJFAPSA-N 1 2 384.479 4.521 50 0 GJAALO Cc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)c1C ZINC000046552154 570400609 /nfs/dbraw/zinc/40/06/09/570400609.db2.gz YUJZVOUMUJFKQI-KRWDZBQOSA-N 1 2 396.922 4.890 50 0 GJAALO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc2ccccc2cc1OC(F)F ZINC000134759717 570470244 /nfs/dbraw/zinc/47/02/44/570470244.db2.gz BJHPRGVJGNVJFC-UHFFFAOYSA-N 1 2 393.393 4.938 50 0 GJAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000030218517 570487371 /nfs/dbraw/zinc/48/73/71/570487371.db2.gz VRPRIADWIUHYFH-UHFFFAOYSA-N 1 2 393.918 4.713 50 0 GJAALO Cn1ccnc1[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccccc1 ZINC000030643812 570493068 /nfs/dbraw/zinc/49/30/68/570493068.db2.gz LTDMTIFGENAJRI-QGZVFWFLSA-N 1 2 377.435 4.911 50 0 GJAALO C[N@@H+]1/C(=C\C(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C ZINC000032609515 570512097 /nfs/dbraw/zinc/51/20/97/570512097.db2.gz YYCOWFJPWBHWDR-PDGQHHTCSA-N 1 2 385.305 4.695 50 0 GJAALO C[N@H+]1/C(=C\C(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C ZINC000032609515 570512102 /nfs/dbraw/zinc/51/21/02/570512102.db2.gz YYCOWFJPWBHWDR-PDGQHHTCSA-N 1 2 385.305 4.695 50 0 GJAALO CCn1c(SCc2cn3cccc(C)c3[nH+]2)nnc1-c1cccc(Cl)c1 ZINC000006657789 570522111 /nfs/dbraw/zinc/52/21/11/570522111.db2.gz HUFWAKLVBJIYFT-UHFFFAOYSA-N 1 2 383.908 4.867 50 0 GJAALO COc1cccc(C(=O)Nc2ccc(CCc3[nH+]c4ccccc4n3C)cc2)c1 ZINC000032960799 570531449 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c1cc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cs1 ZINC000032759271 570794649 /nfs/dbraw/zinc/79/46/49/570794649.db2.gz GILSRRJIDUEBKX-QGZVFWFLSA-N 1 2 384.526 4.980 50 0 GJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cccs3)cc2)[nH+]1 ZINC000033078155 570804475 /nfs/dbraw/zinc/80/44/75/570804475.db2.gz QSIDYYVFMISBKK-UHFFFAOYSA-N 1 2 393.516 4.833 50 0 GJAALO Cc1nc2ccccc2n1C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000005689545 570810818 /nfs/dbraw/zinc/81/08/18/570810818.db2.gz KQJKBBSLPJYJGJ-SQJMNOBHSA-N 1 2 386.495 4.820 50 0 GJAALO Cc1[nH+]c2ccccc2n1C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000005689545 570810822 /nfs/dbraw/zinc/81/08/22/570810822.db2.gz KQJKBBSLPJYJGJ-SQJMNOBHSA-N 1 2 386.495 4.820 50 0 GJAALO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cn2c1 ZINC000012538814 570838310 /nfs/dbraw/zinc/83/83/10/570838310.db2.gz HTRQORRNHQYAPJ-LXGFQCHUSA-N 1 2 397.588 4.597 50 0 GJAALO CC(C)[N@@H+](Cc1nnc(-c2ccccc2)o1)Cn1c2ccccc2oc1=S ZINC000012544175 570844454 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COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000103357952 570881570 /nfs/dbraw/zinc/88/15/70/570881570.db2.gz JTPRPTRNEKVBLP-CJNGLKHVSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000103357952 570881572 /nfs/dbraw/zinc/88/15/72/570881572.db2.gz JTPRPTRNEKVBLP-CJNGLKHVSA-N 1 2 385.489 4.713 50 0 GJAALO CSc1nc2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2s1 ZINC000032913046 570918318 /nfs/dbraw/zinc/91/83/18/570918318.db2.gz CCPKNUNGARRKJA-UHFFFAOYSA-N 1 2 380.498 4.515 50 0 GJAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000252457263 570959332 /nfs/dbraw/zinc/95/93/32/570959332.db2.gz RUKOQHOSZDZYOS-JPYJTQIMSA-N 1 2 389.499 4.664 50 0 GJAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000252457263 570959336 /nfs/dbraw/zinc/95/93/36/570959336.db2.gz RUKOQHOSZDZYOS-JPYJTQIMSA-N 1 2 389.499 4.664 50 0 GJAALO Fc1ccccc1C[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019359441 570979698 /nfs/dbraw/zinc/97/96/98/570979698.db2.gz BCIMJUSPIFNNQI-UHFFFAOYSA-N 1 2 376.475 4.936 50 0 GJAALO COc1ccc2cc(C(=O)Nc3ccccc3-c3cn4c([nH+]3)CCCC4)[nH]c2c1 ZINC000585150185 570983073 /nfs/dbraw/zinc/98/30/73/570983073.db2.gz FSGQVBAJBCSHQE-UHFFFAOYSA-N 1 2 386.455 4.629 50 0 GJAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000007640431 571009566 /nfs/dbraw/zinc/00/95/66/571009566.db2.gz DXMOOAHTYSPOMW-HSZRJFAPSA-N 1 2 388.467 4.536 50 0 GJAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000007640431 571009568 /nfs/dbraw/zinc/00/95/68/571009568.db2.gz DXMOOAHTYSPOMW-HSZRJFAPSA-N 1 2 388.467 4.536 50 0 GJAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000019683141 571028272 /nfs/dbraw/zinc/02/82/72/571028272.db2.gz FYWMHOUXOQMPCP-UHFFFAOYSA-N 1 2 396.874 4.685 50 0 GJAALO CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019890849 206295917 /nfs/dbraw/zinc/29/59/17/206295917.db2.gz HEHNRBQRNGNKME-HAWMADMCSA-N 1 2 399.538 4.752 50 0 biogenic GJAALO C[N@H+](Cn1nc2n(c1=S)CCCCC2)C(c1ccccc1)c1ccccc1 ZINC000014198065 207015427 /nfs/dbraw/zinc/01/54/27/207015427.db2.gz BIIPSSKCWJPNMA-UHFFFAOYSA-N 1 2 378.545 4.819 50 0 GJAALO C[N@@H+](Cn1nc2n(c1=S)CCCCC2)C(c1ccccc1)c1ccccc1 ZINC000014198065 207015431 /nfs/dbraw/zinc/01/54/31/207015431.db2.gz BIIPSSKCWJPNMA-UHFFFAOYSA-N 1 2 378.545 4.819 50 0 GJAALO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000015109135 207048564 /nfs/dbraw/zinc/04/85/64/207048564.db2.gz JKJXCZCMCPTYLA-ZDUSSCGKSA-N 1 2 381.339 4.586 50 0 GJAALO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000015109135 207048568 /nfs/dbraw/zinc/04/85/68/207048568.db2.gz JKJXCZCMCPTYLA-ZDUSSCGKSA-N 1 2 381.339 4.586 50 0 GJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)[nH+]1 ZINC000017013141 207081522 /nfs/dbraw/zinc/08/15/22/207081522.db2.gz HXSJSSBGTOTJIN-UHFFFAOYSA-N 1 2 396.882 4.892 50 0 GJAALO [NH2+]=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019855179 207166798 /nfs/dbraw/zinc/16/67/98/207166798.db2.gz UELHJEHCGWATSW-UHFFFAOYSA-N 1 2 377.875 4.703 50 0 GJAALO CSc1ccc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000019781934 207162046 /nfs/dbraw/zinc/16/20/46/207162046.db2.gz VQUVQFHJWMFVNQ-UHFFFAOYSA-N 1 2 380.479 4.745 50 0 GJAALO Cc1cccn2cc(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)[nH+]c12 ZINC000022694494 207260033 /nfs/dbraw/zinc/26/00/33/207260033.db2.gz LGHCTASGEJVXDR-UHFFFAOYSA-N 1 2 391.496 4.555 50 0 GJAALO O=C(c1ccccc1F)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023313448 207273788 /nfs/dbraw/zinc/27/37/88/207273788.db2.gz DLLOAIAXBMWWJN-QHCPKHFHSA-N 1 2 392.449 4.512 50 0 GJAALO COc1ccc(CCC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000024988079 207299231 /nfs/dbraw/zinc/29/92/31/207299231.db2.gz TVCMINFFVAHHRJ-UHFFFAOYSA-N 1 2 386.923 4.632 50 0 GJAALO CCn1cc[nH+]c1C1CCN(C(=O)CCc2ccc(-c3cccs3)o2)CC1 ZINC000095506922 208206756 /nfs/dbraw/zinc/20/67/56/208206756.db2.gz JBYHBFOJUFNZEY-UHFFFAOYSA-N 1 2 383.517 4.563 50 0 GJAALO O=C(N1CCN(c2cccc[nH+]2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000006231088 220925349 /nfs/dbraw/zinc/92/53/49/220925349.db2.gz XPKGPGSOCOZATR-UHFFFAOYSA-N 1 2 388.496 4.627 50 0 GJAALO COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000007128366 220987523 /nfs/dbraw/zinc/98/75/23/220987523.db2.gz CHVAMZZYDWJYCX-HSZRJFAPSA-N 1 2 396.450 4.652 50 0 GJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000009573419 221084803 /nfs/dbraw/zinc/08/48/03/221084803.db2.gz SVUYIMRIZLTYCL-UHFFFAOYSA-N 1 2 389.503 4.556 50 0 GJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000009573391 221085376 /nfs/dbraw/zinc/08/53/76/221085376.db2.gz XRGPZTXJHDNBKY-UHFFFAOYSA-N 1 2 389.503 4.936 50 0 GJAALO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2ccccc21)c1c(F)cccc1Cl ZINC000012763868 221227601 /nfs/dbraw/zinc/22/76/01/221227601.db2.gz YFOMQCAWXIHMFA-FQEVSTJZSA-N 1 2 384.882 4.594 50 0 GJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1F ZINC000012937436 221248726 /nfs/dbraw/zinc/24/87/26/221248726.db2.gz FVFAICGNQNFBOA-NRFANRHFSA-N 1 2 384.451 4.613 50 0 GJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1F ZINC000012937436 221248728 /nfs/dbraw/zinc/24/87/28/221248728.db2.gz FVFAICGNQNFBOA-NRFANRHFSA-N 1 2 384.451 4.613 50 0 GJAALO CCOc1ccc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)cc1 ZINC000015863633 221349760 /nfs/dbraw/zinc/34/97/60/221349760.db2.gz VYAPWSXDFJFQBU-UHFFFAOYSA-N 1 2 385.467 4.999 50 0 GJAALO COc1cccc(CC(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)c1 ZINC000015863688 221350480 /nfs/dbraw/zinc/35/04/80/221350480.db2.gz QLKBTFKQPIKZBP-UHFFFAOYSA-N 1 2 399.494 4.548 50 0 GJAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc4ccc(C)cc4nc3Cl)CC2)cc1 ZINC000058135250 136154450 /nfs/dbraw/zinc/15/44/50/136154450.db2.gz WWZUVAVTSSRZRX-UHFFFAOYSA-N 1 2 393.918 4.721 50 0 GJAALO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3[nH+]cccc3C)C2=O)cc1C ZINC000012546838 136200446 /nfs/dbraw/zinc/20/04/46/136200446.db2.gz QUHMFFHBFHQAKE-KGENOOAVSA-N 1 2 383.451 4.647 50 0 GJAALO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000035598132 221829295 /nfs/dbraw/zinc/82/92/95/221829295.db2.gz MFUJNUBNNTUDGR-UHFFFAOYSA-N 1 2 399.458 4.612 50 0 GJAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000058370034 222051014 /nfs/dbraw/zinc/05/10/14/222051014.db2.gz SZEIOCWXKSYDSB-UHFFFAOYSA-N 1 2 378.303 4.699 50 0 GJAALO CCc1ccccc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471743 222071811 /nfs/dbraw/zinc/07/18/11/222071811.db2.gz JZFFAVVTQOWSOW-UHFFFAOYSA-N 1 2 377.513 4.730 50 0 GJAALO O=C(CCc1ccccc1)NCCn1c2ccccc2[nH+]c1CCc1ccccc1 ZINC000064887971 222086467 /nfs/dbraw/zinc/08/64/67/222086467.db2.gz CSYLAIQBTUTGHH-UHFFFAOYSA-N 1 2 397.522 4.571 50 0 GJAALO CCc1cc([C@H](C)n2cnc(-c3ccccc3)c2-c2[nH+]c(CC)[nH]c2C)on1 ZINC000067472820 222146459 /nfs/dbraw/zinc/14/64/59/222146459.db2.gz ZWTMPCBMQMWFDA-HNNXBMFYSA-N 1 2 375.476 4.971 50 0 GJAALO C[C@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)[nH+]1 ZINC000067773849 222159877 /nfs/dbraw/zinc/15/98/77/222159877.db2.gz UUQDDXMOZJURHG-AWEZNQCLSA-N 1 2 396.874 4.560 50 0 GJAALO COc1ccc2c(C)c(C(=O)N3CCC(c4[nH+]ccn4C(C)C)CC3)oc2c1 ZINC000095508699 222340388 /nfs/dbraw/zinc/34/03/88/222340388.db2.gz WVJAMXZVRKKSIJ-UHFFFAOYSA-N 1 2 381.476 4.547 50 0 GJAALO Cc1ccccc1SC1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000077437972 222281056 /nfs/dbraw/zinc/28/10/56/222281056.db2.gz UHIDZYGZQXTKND-UHFFFAOYSA-N 1 2 377.513 4.782 50 0 GJAALO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl ZINC000012810339 570224931 /nfs/dbraw/zinc/22/49/31/570224931.db2.gz COMUHSXEPBAAIR-HNNXBMFYSA-N 1 2 388.792 4.531 50 0 GJAALO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851740 570266231 /nfs/dbraw/zinc/26/62/31/570266231.db2.gz SQYFUXLLUVNUBI-FQEVSTJZSA-N 1 2 397.906 4.702 50 0 GJAALO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851740 570266233 /nfs/dbraw/zinc/26/62/33/570266233.db2.gz SQYFUXLLUVNUBI-FQEVSTJZSA-N 1 2 397.906 4.702 50 0 GJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1 ZINC000002868889 570313498 /nfs/dbraw/zinc/31/34/98/570313498.db2.gz BRGOAMQLLIVJRC-UHFFFAOYSA-N 1 2 379.508 4.560 50 0 GJAALO Cc1ccccc1[C@H](CC(=O)NCc1ccco1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921229 570345306 /nfs/dbraw/zinc/34/53/06/570345306.db2.gz SNQASJUXSUFJFG-PXNSSMCTSA-N 1 2 377.488 4.520 50 0 GJAALO C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023564094 570365590 /nfs/dbraw/zinc/36/55/90/570365590.db2.gz SNVOZJJYMDTIAJ-KRWDZBQOSA-N 1 2 395.462 4.987 50 0 GJAALO COc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)sc2C)cc1 ZINC000024050704 570377932 /nfs/dbraw/zinc/37/79/32/570377932.db2.gz DCDFNXHHEPVUIX-UHFFFAOYSA-N 1 2 390.468 4.565 50 0 GJAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)n2c3ccccc3[nH+]c2N1 ZINC000004741916 570401270 /nfs/dbraw/zinc/40/12/70/570401270.db2.gz SMKUUHPCDZRREQ-JOCHJYFZSA-N 1 2 396.450 4.670 50 0 GJAALO Cc1cc(C)c(NC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)c(C)c1 ZINC000033106201 570402219 /nfs/dbraw/zinc/40/22/19/570402219.db2.gz ZVTGUAZEVXLYRW-UHFFFAOYSA-N 1 2 388.515 4.653 50 0 GJAALO CC(C)[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)c1ccc(Cl)cc1 ZINC000025051028 570404161 /nfs/dbraw/zinc/40/41/61/570404161.db2.gz OTQGRPSQMCKTNU-WOJBJXKFSA-N 1 2 381.907 4.719 50 0 GJAALO CC1CC[NH+](Cn2nc(-c3ccccc3F)n(-c3ccccc3)c2=S)CC1 ZINC000005261112 570432761 /nfs/dbraw/zinc/43/27/61/570432761.db2.gz QZBJTKACTNDADN-UHFFFAOYSA-N 1 2 382.508 4.899 50 0 GJAALO Cc1ccsc1C[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000072274818 570460023 /nfs/dbraw/zinc/46/00/23/570460023.db2.gz ZMZWYXURQWBPSD-UHFFFAOYSA-N 1 2 385.558 4.635 50 0 GJAALO Cc1ccsc1C[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000072274818 570460025 /nfs/dbraw/zinc/46/00/25/570460025.db2.gz ZMZWYXURQWBPSD-UHFFFAOYSA-N 1 2 385.558 4.635 50 0 GJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccnc(Cl)c1)CC2 ZINC000072276950 570462125 /nfs/dbraw/zinc/46/21/25/570462125.db2.gz WIIZDNMWEJJIHW-HSZRJFAPSA-N 1 2 394.902 4.900 50 0 GJAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccnc(Cl)c1)CC2 ZINC000072276950 570462126 /nfs/dbraw/zinc/46/21/26/570462126.db2.gz WIIZDNMWEJJIHW-HSZRJFAPSA-N 1 2 394.902 4.900 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)co2)cc1 ZINC000042754195 570490927 /nfs/dbraw/zinc/49/09/27/570490927.db2.gz ABPUMKYDUBNWDR-OAQYLSRUSA-N 1 2 394.471 4.705 50 0 GJAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3OC)co2)cc1 ZINC000042754195 570490930 /nfs/dbraw/zinc/49/09/30/570490930.db2.gz ABPUMKYDUBNWDR-OAQYLSRUSA-N 1 2 394.471 4.705 50 0 GJAALO Cc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2cccc(F)c2)CC(C)C)cc1 ZINC000006723425 570552124 /nfs/dbraw/zinc/55/21/24/570552124.db2.gz DXLLEPBIFZTGNF-UHFFFAOYSA-N 1 2 379.479 4.677 50 0 GJAALO O=Cc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000035635849 570556729 /nfs/dbraw/zinc/55/67/29/570556729.db2.gz HSHAONIIJLIMFN-UHFFFAOYSA-N 1 2 392.449 4.689 50 0 GJAALO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2C1 ZINC000225531211 570584593 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ZINC000012928147 221247943 /nfs/dbraw/zinc/24/79/43/221247943.db2.gz CUAMJLQSQOOIHL-JOCHJYFZSA-N 1 2 380.488 4.782 50 0 GJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c(F)c1 ZINC000012928147 221247947 /nfs/dbraw/zinc/24/79/47/221247947.db2.gz CUAMJLQSQOOIHL-JOCHJYFZSA-N 1 2 380.488 4.782 50 0 GJAALO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1Cl ZINC000013039987 221258666 /nfs/dbraw/zinc/25/86/66/221258666.db2.gz YFRYPLDDOSQKGG-CQSZACIVSA-N 1 2 385.920 4.768 50 0 GJAALO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1Cl ZINC000013039987 221258668 /nfs/dbraw/zinc/25/86/68/221258668.db2.gz YFRYPLDDOSQKGG-CQSZACIVSA-N 1 2 385.920 4.768 50 0 GJAALO CCOc1ccccc1C(=O)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000015863872 221350030 /nfs/dbraw/zinc/35/00/30/221350030.db2.gz FAUSOGHLJFYXDY-UHFFFAOYSA-N 1 2 385.467 4.999 50 0 GJAALO COc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055403945 222021990 /nfs/dbraw/zinc/02/19/90/222021990.db2.gz ACURERQJRHPOEV-UHFFFAOYSA-N 1 2 387.405 4.706 50 0 GJAALO COc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055403945 222021992 /nfs/dbraw/zinc/02/19/92/222021992.db2.gz ACURERQJRHPOEV-UHFFFAOYSA-N 1 2 387.405 4.706 50 0 GJAALO Cc1sc2nc([C@@H](C)[NH+]3CCC(Nc4ccccc4C)CC3)[nH]c(=O)c2c1C ZINC000058178021 222043305 /nfs/dbraw/zinc/04/33/05/222043305.db2.gz NKUQIXATSBPNNS-OAHLLOKOSA-N 1 2 396.560 4.547 50 0 GJAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1[C@@H](CO)Cc1ccc(Cl)cc1 ZINC000067895838 222166583 /nfs/dbraw/zinc/16/65/83/222166583.db2.gz MTTJIQWMCJNZDI-LJQANCHMSA-N 1 2 392.890 4.678 50 0 GJAALO COc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000082087078 222308829 /nfs/dbraw/zinc/30/88/29/222308829.db2.gz JPJRZFGRYCYWST-GOSISDBHSA-N 1 2 380.488 4.533 50 0 GJAALO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 ZINC000012809978 525248788 /nfs/dbraw/zinc/24/87/88/525248788.db2.gz QCMISQKIJVQSIF-BBRMVZONSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 ZINC000012809978 525248791 /nfs/dbraw/zinc/24/87/91/525248791.db2.gz QCMISQKIJVQSIF-BBRMVZONSA-N 1 2 385.489 4.713 50 0 GJAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012810758 570225258 /nfs/dbraw/zinc/22/52/58/570225258.db2.gz HUGRYXWNYAPZCX-HXUWFJFHSA-N 1 2 394.544 4.730 50 0 GJAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012810758 570225259 /nfs/dbraw/zinc/22/52/59/570225259.db2.gz HUGRYXWNYAPZCX-HXUWFJFHSA-N 1 2 394.544 4.730 50 0 GJAALO CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1-n1cccc1)C[N@H+](C)CC3 ZINC000019889387 570227828 /nfs/dbraw/zinc/22/78/28/570227828.db2.gz OZTPLDZLZUXNEV-UHFFFAOYSA-N 1 2 387.508 4.945 50 0 GJAALO CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1-n1cccc1)C[N@@H+](C)CC3 ZINC000019889387 570227829 /nfs/dbraw/zinc/22/78/29/570227829.db2.gz OZTPLDZLZUXNEV-UHFFFAOYSA-N 1 2 387.508 4.945 50 0 GJAALO CC[C@@H](C)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000020385870 570253978 /nfs/dbraw/zinc/25/39/78/570253978.db2.gz SNMTVSOFDHGHER-QGZVFWFLSA-N 1 2 385.552 4.854 50 0 GJAALO CCCCc1noc([C@H](C)Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012893249 570286927 /nfs/dbraw/zinc/28/69/27/570286927.db2.gz VLXRJQQTJBKCHQ-LBPRGKRZSA-N 1 2 398.467 4.534 50 0 GJAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012927032 570297180 /nfs/dbraw/zinc/29/71/80/570297180.db2.gz JHNJYNSHVIICGT-QHCPKHFHSA-N 1 2 392.524 4.733 50 0 GJAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012927032 570297187 /nfs/dbraw/zinc/29/71/87/570297187.db2.gz JHNJYNSHVIICGT-QHCPKHFHSA-N 1 2 392.524 4.733 50 0 GJAALO COc1ccc(NC(=O)c2ccc(Cn3c[nH+]c4cc(C)c(C)cc43)cc2)cc1 ZINC000022023773 570320102 /nfs/dbraw/zinc/32/01/02/570320102.db2.gz NHRLZYWFIZAUHN-UHFFFAOYSA-N 1 2 385.467 4.962 50 0 GJAALO CC1CC[NH+](Cn2nc(COc3ccccc3)n(-c3ccccc3)c2=S)CC1 ZINC000004181609 570361642 /nfs/dbraw/zinc/36/16/42/570361642.db2.gz KFCGJEJQHLRZNF-UHFFFAOYSA-N 1 2 394.544 4.672 50 0 GJAALO Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc(C)cc4C)CC3)n2)cc1 ZINC000026641336 570427452 /nfs/dbraw/zinc/42/74/52/570427452.db2.gz TXRVFKDSMFQDKM-UHFFFAOYSA-N 1 2 389.499 4.757 50 0 GJAALO CCc1ccccc1NC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000032953876 570433862 /nfs/dbraw/zinc/43/38/62/570433862.db2.gz NDMKFLFMIVUXFG-UHFFFAOYSA-N 1 2 390.487 4.586 50 0 GJAALO O=C([C@H]1CC=CCC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132416 570435653 /nfs/dbraw/zinc/43/56/53/570435653.db2.gz WVKMTGMGTRFQNB-FQEVSTJZSA-N 1 2 396.481 4.555 50 0 GJAALO CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000072284734 570473911 /nfs/dbraw/zinc/47/39/11/570473911.db2.gz FWRKWALLRLLEBJ-UHFFFAOYSA-N 1 2 375.453 4.756 50 0 GJAALO CCN(CC)c1cc(C)c2cc(NC(=O)COc3ccc(C)cc3)ccc2[nH+]1 ZINC000006725125 570490191 /nfs/dbraw/zinc/49/01/91/570490191.db2.gz QTAAVMJFBAPJRT-UHFFFAOYSA-N 1 2 377.488 4.715 50 0 GJAALO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000089568194 570493825 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GJAALO Cc1ccc(C[N@H+](C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447625 570695578 /nfs/dbraw/zinc/69/55/78/570695578.db2.gz MTCGSQUVBZQPHI-QHCPKHFHSA-N 1 2 383.499 4.501 50 0 GJAALO O=C(NCc1ccco1)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000065178262 570724011 /nfs/dbraw/zinc/72/40/11/570724011.db2.gz KGRKUHJDQPWYIN-UHFFFAOYSA-N 1 2 375.472 4.652 50 0 GJAALO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)c1cccnc1 ZINC000059324934 570737923 /nfs/dbraw/zinc/73/79/23/570737923.db2.gz NQECPEWBDKEMKM-KBPBESRZSA-N 1 2 387.940 4.792 50 0 GJAALO CC(C)n1cc[nH+]c1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067642665 570784263 /nfs/dbraw/zinc/78/42/63/570784263.db2.gz IVZKAMMMSXFFDC-UHFFFAOYSA-N 1 2 397.906 4.885 50 0 GJAALO CSc1ccccc1NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752897 570792011 /nfs/dbraw/zinc/79/20/11/570792011.db2.gz IYWKNYCLIXJAFO-UHFFFAOYSA-N 1 2 398.488 4.703 50 0 GJAALO Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc(N2CCCC2)[nH+]c1 ZINC000033128450 570818042 /nfs/dbraw/zinc/81/80/42/570818042.db2.gz ZPXDZKGXOINJIL-UHFFFAOYSA-N 1 2 396.441 4.620 50 0 GJAALO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012535482 570835712 /nfs/dbraw/zinc/83/57/12/570835712.db2.gz SVPQLBZFVWRDSO-KRWDZBQOSA-N 1 2 397.837 4.787 50 0 GJAALO O=C(Cc1cn2ccccc2[nH+]1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000012541171 570840996 /nfs/dbraw/zinc/84/09/96/570840996.db2.gz PVIPUVOKBKYBRR-UHFFFAOYSA-N 1 2 388.496 4.518 50 0 GJAALO CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2C1 ZINC000170609150 570865529 /nfs/dbraw/zinc/86/55/29/570865529.db2.gz ZZSMWIJSWCYSOM-UHFFFAOYSA-N 1 2 398.450 4.622 50 0 GJAALO CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2C1 ZINC000170609150 570865534 /nfs/dbraw/zinc/86/55/34/570865534.db2.gz ZZSMWIJSWCYSOM-UHFFFAOYSA-N 1 2 398.450 4.622 50 0 GJAALO O=C(NCc1ccc(Cl)cc1)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264721 570883259 /nfs/dbraw/zinc/88/32/59/570883259.db2.gz COAUQOQGFWBKPE-UHFFFAOYSA-N 1 2 389.886 4.932 50 0 GJAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)cn2c1 ZINC000032903912 570901038 /nfs/dbraw/zinc/90/10/38/570901038.db2.gz RUVMJIAUZVYWNG-UHFFFAOYSA-N 1 2 391.496 4.555 50 0 GJAALO CCCO[C@@H]1CCC[N@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000012702668 570966359 /nfs/dbraw/zinc/96/63/59/570966359.db2.gz GRKGKRSLNPKADM-HXUWFJFHSA-N 1 2 383.536 4.629 50 0 GJAALO CCCO[C@@H]1CCC[N@@H+](Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000012702668 570966362 /nfs/dbraw/zinc/96/63/62/570966362.db2.gz GRKGKRSLNPKADM-HXUWFJFHSA-N 1 2 383.536 4.629 50 0 GJAALO CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000107158169 570972246 /nfs/dbraw/zinc/97/22/46/570972246.db2.gz XROFCGQMCBLDGT-HVETUWLQSA-N 1 2 390.487 4.641 50 0 GJAALO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000252536108 570990824 /nfs/dbraw/zinc/99/08/24/570990824.db2.gz HPPITKMXHHCOPA-UHFFFAOYSA-N 1 2 380.423 4.753 50 0 GJAALO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000252536108 570990828 /nfs/dbraw/zinc/99/08/28/570990828.db2.gz HPPITKMXHHCOPA-UHFFFAOYSA-N 1 2 380.423 4.753 50 0 GJAALO CCCN(C)C(=O)Cn1c2cc(C)c(C)cc2[nH+]c1Cc1ccccc1Cl ZINC000037398019 571005696 /nfs/dbraw/zinc/00/56/96/571005696.db2.gz XKDYZYXWZPEPNW-UHFFFAOYSA-N 1 2 383.923 4.766 50 0 GJAALO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095370116 571060252 /nfs/dbraw/zinc/06/02/52/571060252.db2.gz CPEKURPTNGFBKO-GOSISDBHSA-N 1 2 378.520 4.592 50 0 GJAALO S=C(Nc1ccc(Cl)cc1Cl)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000001045415 212210016 /nfs/dbraw/zinc/21/00/16/212210016.db2.gz PMNXZDRVMSZBGE-KRWDZBQOSA-N 1 2 391.327 4.918 50 0 GJAALO COc1ccc(-c2nn(C[NH+]3CCCCCC3)c(=S)n2-c2ccccc2)cc1 ZINC000000662771 212171126 /nfs/dbraw/zinc/17/11/26/212171126.db2.gz ZJTNSYUZTRNFLE-UHFFFAOYSA-N 1 2 394.544 4.912 50 0 GJAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4nsnc4c3)c(C)o2)cc1C ZINC000059329453 209114960 /nfs/dbraw/zinc/11/49/60/209114960.db2.gz UPYXAUJVGDUKJE-UHFFFAOYSA-N 1 2 394.500 4.604 50 0 GJAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc4nsnc4c3)c(C)o2)cc1C ZINC000059329453 209114954 /nfs/dbraw/zinc/11/49/54/209114954.db2.gz UPYXAUJVGDUKJE-UHFFFAOYSA-N 1 2 394.500 4.604 50 0 GJAALO CCc1cccc(C)c1N(C(=O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](C)COC ZINC000001447787 206382797 /nfs/dbraw/zinc/38/27/97/206382797.db2.gz WMHROXSFSBKQDM-LJQANCHMSA-N 1 2 393.531 4.592 50 0 GJAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1OC(F)F ZINC000036392676 206795136 /nfs/dbraw/zinc/79/51/36/206795136.db2.gz WDSMYLSAICKNFT-INIZCTEOSA-N 1 2 380.822 4.717 50 0 GJAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1OC(F)F ZINC000036392676 206795139 /nfs/dbraw/zinc/79/51/39/206795139.db2.gz WDSMYLSAICKNFT-INIZCTEOSA-N 1 2 380.822 4.717 50 0 GJAALO COc1ccc(C(=O)Nc2cccc(CCc3[nH+]c4ccccc4n3C)c2)cc1 ZINC000015863696 207064909 /nfs/dbraw/zinc/06/49/09/207064909.db2.gz WYBYENJLHBVMLL-UHFFFAOYSA-N 1 2 385.467 4.619 50 0 GJAALO CSc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000019889495 207167939 /nfs/dbraw/zinc/16/79/39/207167939.db2.gz FTBCZZIXMFIKNP-UHFFFAOYSA-N 1 2 376.525 4.520 50 0 GJAALO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000022130803 207247689 /nfs/dbraw/zinc/24/76/89/207247689.db2.gz FFNJNQRJGGLANL-HSZRJFAPSA-N 1 2 384.435 4.610 50 0 GJAALO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000024808406 207296520 /nfs/dbraw/zinc/29/65/20/207296520.db2.gz QHXVDKWIGKJOEM-JTQLQIEISA-N 1 2 388.254 4.827 50 0 GJAALO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@H+](C)Cc1ncc[nH]1 ZINC000072409416 208015494 /nfs/dbraw/zinc/01/54/94/208015494.db2.gz FOZPVCWDJKKVCZ-UHFFFAOYSA-N 1 2 392.890 4.919 50 0 GJAALO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000072409416 208015500 /nfs/dbraw/zinc/01/55/00/208015500.db2.gz FOZPVCWDJKKVCZ-UHFFFAOYSA-N 1 2 392.890 4.919 50 0 GJAALO COc1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000082087074 208077588 /nfs/dbraw/zinc/07/75/88/208077588.db2.gz JVFVQVJCVGWJEM-SFHVURJKSA-N 1 2 380.488 4.533 50 0 GJAALO Cc1cccn2cc(COc3ccccc3C(=O)N3CC4(C3)CCCCC4)[nH+]c12 ZINC000096003914 208251659 /nfs/dbraw/zinc/25/16/59/208251659.db2.gz MMVUDJGMVSRZAA-UHFFFAOYSA-N 1 2 389.499 4.628 50 0 GJAALO CCCc1[nH]c2ccc(CCC(=O)NCc3ccccc3C(F)(F)F)cc2[nH+]1 ZINC000096332873 208307679 /nfs/dbraw/zinc/30/76/79/208307679.db2.gz VIWMVVMLBRAAFH-UHFFFAOYSA-N 1 2 389.421 4.783 50 0 GJAALO CCCc1[nH]c2cc(CCC(=O)NCc3ccccc3C(F)(F)F)ccc2[nH+]1 ZINC000096332873 208307686 /nfs/dbraw/zinc/30/76/86/208307686.db2.gz VIWMVVMLBRAAFH-UHFFFAOYSA-N 1 2 389.421 4.783 50 0 GJAALO CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000012027535 221144152 /nfs/dbraw/zinc/14/41/52/221144152.db2.gz VHMRTKUQMXJKBB-RUZDIDTESA-N 1 2 384.527 4.920 50 0 GJAALO CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000012027535 221144154 /nfs/dbraw/zinc/14/41/54/221144154.db2.gz VHMRTKUQMXJKBB-RUZDIDTESA-N 1 2 384.527 4.920 50 0 GJAALO COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c(C)c1C ZINC000012192334 221165447 /nfs/dbraw/zinc/16/54/47/221165447.db2.gz GKEFBMRBXLTPPB-DEOSSOPVSA-N 1 2 386.499 4.664 50 0 GJAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012432343 221192879 /nfs/dbraw/zinc/19/28/79/221192879.db2.gz ZIWALCUCFCYVDI-INIZCTEOSA-N 1 2 393.453 4.722 50 0 GJAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012432343 221192882 /nfs/dbraw/zinc/19/28/82/221192882.db2.gz ZIWALCUCFCYVDI-INIZCTEOSA-N 1 2 393.453 4.722 50 0 GJAALO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532849 221203316 /nfs/dbraw/zinc/20/33/16/221203316.db2.gz RJRZIEIYRREYAO-NSHDSACASA-N 1 2 390.940 4.745 50 0 GJAALO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532849 221203319 /nfs/dbraw/zinc/20/33/19/221203319.db2.gz RJRZIEIYRREYAO-NSHDSACASA-N 1 2 390.940 4.745 50 0 GJAALO CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012603525 221215009 /nfs/dbraw/zinc/21/50/09/221215009.db2.gz HTLQDUZYPQSMOK-KRWDZBQOSA-N 1 2 390.821 4.605 50 0 GJAALO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)[nH+]3)C2=O)c(C)c1 ZINC000012651972 221216957 /nfs/dbraw/zinc/21/69/57/221216957.db2.gz HPMAEJJNXBJVNO-XSFVSMFZSA-N 1 2 383.451 4.647 50 0 GJAALO Fc1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000012745481 221223840 /nfs/dbraw/zinc/22/38/40/221223840.db2.gz YCLNLIZDIPTLHL-NRFANRHFSA-N 1 2 381.472 4.901 50 0 GJAALO Fc1cc(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000012745481 221223842 /nfs/dbraw/zinc/22/38/42/221223842.db2.gz YCLNLIZDIPTLHL-NRFANRHFSA-N 1 2 381.472 4.901 50 0 GJAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3SC)c2C1 ZINC000012940597 221249391 /nfs/dbraw/zinc/24/93/91/221249391.db2.gz BBYGPXDZDDBILL-UHFFFAOYSA-N 1 2 377.513 4.587 50 0 GJAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3SC)c2C1 ZINC000012940597 221249393 /nfs/dbraw/zinc/24/93/93/221249393.db2.gz BBYGPXDZDDBILL-UHFFFAOYSA-N 1 2 377.513 4.587 50 0 GJAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)c1 ZINC000015109132 221332564 /nfs/dbraw/zinc/33/25/64/221332564.db2.gz JKJXCZCMCPTYLA-CYBMUJFWSA-N 1 2 381.339 4.586 50 0 GJAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)c1 ZINC000015109132 221332566 /nfs/dbraw/zinc/33/25/66/221332566.db2.gz JKJXCZCMCPTYLA-CYBMUJFWSA-N 1 2 381.339 4.586 50 0 GJAALO Cc1ccccc1-c1noc(C[N@H+](C)Cc2ccc(Br)s2)n1 ZINC000015371840 221334853 /nfs/dbraw/zinc/33/48/53/221334853.db2.gz GPQHLVCJMNHNOF-UHFFFAOYSA-N 1 2 378.295 4.501 50 0 GJAALO Cc1ccccc1-c1noc(C[N@@H+](C)Cc2ccc(Br)s2)n1 ZINC000015371840 221334857 /nfs/dbraw/zinc/33/48/57/221334857.db2.gz GPQHLVCJMNHNOF-UHFFFAOYSA-N 1 2 378.295 4.501 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017144200 221380169 /nfs/dbraw/zinc/38/01/69/221380169.db2.gz ALQIHKKHRCNQNN-OZVIIMIRSA-N 1 2 390.940 4.526 50 0 GJAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017144200 221380171 /nfs/dbraw/zinc/38/01/71/221380171.db2.gz ALQIHKKHRCNQNN-OZVIIMIRSA-N 1 2 390.940 4.526 50 0 GJAALO Cc1sc2[nH]c(=S)n(CC[NH+]3CCCCC3)c(=O)c2c1-c1ccccc1 ZINC000017078749 221377375 /nfs/dbraw/zinc/37/73/75/221377375.db2.gz AMZLMSHTQNLYER-UHFFFAOYSA-N 1 2 385.558 4.582 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCCCc1ccccc1)N1CCCC1 ZINC000067288290 222143923 /nfs/dbraw/zinc/14/39/23/222143923.db2.gz QLVWHUJKCFORHA-UHFFFAOYSA-N 1 2 377.463 4.655 50 0 GJAALO CCOc1cccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)c1 ZINC000067288217 222144363 /nfs/dbraw/zinc/14/43/63/222144363.db2.gz ACKGOWLTUCJELF-UHFFFAOYSA-N 1 2 393.462 4.621 50 0 GJAALO Cc1nc2c(s1)CCC[C@@H]2n1cnc(-c2ccccc2)c1-c1[nH+]c[nH]c1C ZINC000067605412 222149817 /nfs/dbraw/zinc/14/98/17/222149817.db2.gz ZNRNQVVQXQFNOM-INIZCTEOSA-N 1 2 375.501 4.939 50 0 GJAALO c1ccc(C(c2[nH]nc3c2C[N@H+](Cc2cccnc2)CC3)c2ccccc2)cc1 ZINC000067867927 222163209 /nfs/dbraw/zinc/16/32/09/222163209.db2.gz JFZHZJHVLMLWLD-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO c1ccc(C(c2[nH]nc3c2C[N@@H+](Cc2cccnc2)CC3)c2ccccc2)cc1 ZINC000067867927 222163213 /nfs/dbraw/zinc/16/32/13/222163213.db2.gz JFZHZJHVLMLWLD-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO c1ccc(C(c2n[nH]c3c2C[N@H+](Cc2ccccn2)CC3)c2ccccc2)cc1 ZINC000067884233 222165955 /nfs/dbraw/zinc/16/59/55/222165955.db2.gz PRQKXCURJOWLQV-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO c1ccc(C(c2n[nH]c3c2C[N@@H+](Cc2ccccn2)CC3)c2ccccc2)cc1 ZINC000067884233 222165960 /nfs/dbraw/zinc/16/59/60/222165960.db2.gz PRQKXCURJOWLQV-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO c1ccc(C(c2[nH]nc3c2C[N@H+](Cc2ccccn2)CC3)c2ccccc2)cc1 ZINC000067884233 222165964 /nfs/dbraw/zinc/16/59/64/222165964.db2.gz PRQKXCURJOWLQV-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO c1ccc(C(c2[nH]nc3c2C[N@@H+](Cc2ccccn2)CC3)c2ccccc2)cc1 ZINC000067884233 222165969 /nfs/dbraw/zinc/16/59/69/222165969.db2.gz PRQKXCURJOWLQV-UHFFFAOYSA-N 1 2 380.495 4.543 50 0 GJAALO Cn1c2ccccc2[nH+]c1CCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000072307704 222221303 /nfs/dbraw/zinc/22/13/03/222221303.db2.gz UAQVSJMDXFVVEY-UHFFFAOYSA-N 1 2 394.482 4.623 50 0 GJAALO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000079019521 222299959 /nfs/dbraw/zinc/29/99/59/222299959.db2.gz NZFGGKAJJOKZHP-MRXNPFEDSA-N 1 2 382.464 4.600 50 0 GJAALO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)c1ccc(Cl)cc1 ZINC000096024382 222373414 /nfs/dbraw/zinc/37/34/14/222373414.db2.gz SKQDXSCRXZDARF-UHFFFAOYSA-N 1 2 387.892 4.514 50 0 GJAALO c1ccc(Cc2noc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048299405 570233804 /nfs/dbraw/zinc/23/38/04/570233804.db2.gz BPBGZZRZFSIAQB-QHCPKHFHSA-N 1 2 381.479 4.808 50 0 GJAALO c1ccc(Cc2noc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048299405 570233807 /nfs/dbraw/zinc/23/38/07/570233807.db2.gz BPBGZZRZFSIAQB-QHCPKHFHSA-N 1 2 381.479 4.808 50 0 GJAALO CC[C@@H](c1ccc(F)cc1)[N@H+](CC(=O)Nc1cc(C)on1)Cc1cccc(F)c1 ZINC000048354194 570241414 /nfs/dbraw/zinc/24/14/14/570241414.db2.gz ZGKRAJRQAKBJCH-FQEVSTJZSA-N 1 2 399.441 4.853 50 0 GJAALO CC[C@@H](c1ccc(F)cc1)[N@@H+](CC(=O)Nc1cc(C)on1)Cc1cccc(F)c1 ZINC000048354194 570241417 /nfs/dbraw/zinc/24/14/17/570241417.db2.gz ZGKRAJRQAKBJCH-FQEVSTJZSA-N 1 2 399.441 4.853 50 0 GJAALO CCCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)s1 ZINC000020363913 570253373 /nfs/dbraw/zinc/25/33/73/570253373.db2.gz YTVDILDTAFBRJB-GOSISDBHSA-N 1 2 395.528 4.880 50 0 GJAALO CCCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)s1 ZINC000020363913 570253376 /nfs/dbraw/zinc/25/33/76/570253376.db2.gz YTVDILDTAFBRJB-GOSISDBHSA-N 1 2 395.528 4.880 50 0 GJAALO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000072028058 570289367 /nfs/dbraw/zinc/28/93/67/570289367.db2.gz RSECWMBCAFEENC-UHFFFAOYSA-N 1 2 379.479 4.502 50 0 GJAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021719926 570294788 /nfs/dbraw/zinc/29/47/88/570294788.db2.gz WVOHSESDEVPNHJ-SFHVURJKSA-N 1 2 396.491 4.542 50 0 GJAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1OC ZINC000021719926 570294791 /nfs/dbraw/zinc/29/47/91/570294791.db2.gz WVOHSESDEVPNHJ-SFHVURJKSA-N 1 2 396.491 4.542 50 0 GJAALO CC(C)(C)c1ccccc1NC(=O)Nc1cnn(Cc2cn3ccccc3[nH+]2)c1 ZINC000072309806 570304552 /nfs/dbraw/zinc/30/45/52/570304552.db2.gz JZJCAJLEQYZOPG-UHFFFAOYSA-N 1 2 388.475 4.521 50 0 GJAALO Cc1ccccc1[C@@H](CC(=O)NCc1ccco1)c1c[nH+]c2n1CCC[C@@H]2C ZINC000034921226 570345157 /nfs/dbraw/zinc/34/51/57/570345157.db2.gz SNQASJUXSUFJFG-FXAWDEMLSA-N 1 2 377.488 4.520 50 0 GJAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cc(-c2cccs2)[nH]n1 ZINC000575620530 570369374 /nfs/dbraw/zinc/36/93/74/570369374.db2.gz RYJYSSYCASLJDV-UHFFFAOYSA-N 1 2 389.484 4.590 50 0 GJAALO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000004336277 570369533 /nfs/dbraw/zinc/36/95/33/570369533.db2.gz QDKUNUAHOOBQHJ-UHFFFAOYSA-N 1 2 391.298 4.649 50 0 GJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccncc2)cc1 ZINC000004735674 570399462 /nfs/dbraw/zinc/39/94/62/570399462.db2.gz VRXJSTDYIJNGIA-QFIPXVFZSA-N 1 2 395.466 4.667 50 0 GJAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000026850101 570429209 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Cc1ccccc1Cn1cc[nH+]c1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000006690039 570533270 /nfs/dbraw/zinc/53/32/70/570533270.db2.gz BSOIYNNMUPPROA-UHFFFAOYSA-N 1 2 379.479 4.677 50 0 GJAALO CCOC(=O)c1cccc(Nc2c(-c3ccccc3O)[nH+]c3ccc(C)cn32)c1 ZINC000035616354 570556302 /nfs/dbraw/zinc/55/63/02/570556302.db2.gz XFJHEZGOHTUGME-UHFFFAOYSA-N 1 2 387.439 4.936 50 0 GJAALO COc1ccc(OC)c(Nc2c(-c3ccccc3O)[nH+]c3cc(C)ccn32)c1 ZINC000035616403 570556305 /nfs/dbraw/zinc/55/63/05/570556305.db2.gz HXWWMXZREDDTGP-UHFFFAOYSA-N 1 2 375.428 4.776 50 0 GJAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907107 570563608 /nfs/dbraw/zinc/56/36/08/570563608.db2.gz UMYXZQAESJPIEA-IBGZPJMESA-N 1 2 398.865 4.602 50 0 GJAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907107 570563609 /nfs/dbraw/zinc/56/36/09/570563609.db2.gz UMYXZQAESJPIEA-IBGZPJMESA-N 1 2 398.865 4.602 50 0 GJAALO COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000225496168 570580169 /nfs/dbraw/zinc/58/01/69/570580169.db2.gz QVYADPRRXRJNHA-MRXNPFEDSA-N 1 2 377.444 4.573 50 0 GJAALO Cc1cc([C@@H](Nc2cccc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038546993 570580868 /nfs/dbraw/zinc/58/08/68/570580868.db2.gz PDPCMSRUZREDBM-IBGZPJMESA-N 1 2 390.468 4.893 50 0 GJAALO COc1ccc(CC(=O)Nc2ccccc2CCc2[nH+]c3ccccc3n2C)cc1 ZINC000033019807 570645520 /nfs/dbraw/zinc/64/55/20/570645520.db2.gz XEDVDCSQZXDORO-UHFFFAOYSA-N 1 2 399.494 4.548 50 0 GJAALO COc1cccc(CCC(=O)Nc2ccccc2CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000033019895 570645536 /nfs/dbraw/zinc/64/55/36/570645536.db2.gz QADYPMQIMPNDPE-UHFFFAOYSA-N 1 2 399.494 4.928 50 0 GJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000067868566 570795273 /nfs/dbraw/zinc/79/52/73/570795273.db2.gz FJOBSYDGVRWIKX-UHFFFAOYSA-N 1 2 377.488 4.540 50 0 GJAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](Cc1cnn(C(C)C)c1)CCO2 ZINC000067868566 570795280 /nfs/dbraw/zinc/79/52/80/570795280.db2.gz FJOBSYDGVRWIKX-UHFFFAOYSA-N 1 2 377.488 4.540 50 0 GJAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1CCc1ccccc1 ZINC000007128359 570799745 /nfs/dbraw/zinc/79/97/45/570799745.db2.gz HTEWLNBPKHHLNN-DEOSSOPVSA-N 1 2 394.478 4.682 50 0 GJAALO Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106193 570811148 /nfs/dbraw/zinc/81/11/48/570811148.db2.gz XUMWQQCAKSFBKA-UHFFFAOYSA-N 1 2 394.906 4.689 50 0 GJAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000007317566 570828630 /nfs/dbraw/zinc/82/86/30/570828630.db2.gz WIPGYWGGONTNQN-FQEVSTJZSA-N 1 2 380.517 4.597 50 0 GJAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000007317566 570828634 /nfs/dbraw/zinc/82/86/34/570828634.db2.gz WIPGYWGGONTNQN-FQEVSTJZSA-N 1 2 380.517 4.597 50 0 GJAALO COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012547893 570849884 /nfs/dbraw/zinc/84/98/84/570849884.db2.gz PPACRMOMGYCNDT-HSZRJFAPSA-N 1 2 396.450 4.652 50 0 GJAALO C[N@H+](Cc1cc(Cl)cc2c1OCOC2)[C@]1(c2ccccc2)CCCCC1=O ZINC000170607266 570864116 /nfs/dbraw/zinc/86/41/16/570864116.db2.gz FHDDTPPVTSUDJU-QFIPXVFZSA-N 1 2 385.891 4.677 50 0 GJAALO C[N@@H+](Cc1cc(Cl)cc2c1OCOC2)[C@]1(c2ccccc2)CCCCC1=O ZINC000170607266 570864120 /nfs/dbraw/zinc/86/41/20/570864120.db2.gz FHDDTPPVTSUDJU-QFIPXVFZSA-N 1 2 385.891 4.677 50 0 GJAALO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012602863 570887198 /nfs/dbraw/zinc/88/71/98/570887198.db2.gz MISIBCWJEVLHJG-GOSISDBHSA-N 1 2 397.837 4.787 50 0 GJAALO Cc1ccc(-n2c(SCc3cn4ccccc4[nH+]3)nc3ccccc3c2=O)cc1 ZINC000012659211 570947787 /nfs/dbraw/zinc/94/77/87/570947787.db2.gz MCNBVIUYYPAGOW-UHFFFAOYSA-N 1 2 398.491 4.634 50 0 GJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000033287235 570955138 /nfs/dbraw/zinc/95/51/38/570955138.db2.gz UWXAHCWHVSTVSI-UHFFFAOYSA-N 1 2 389.524 4.676 50 0 GJAALO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000033287235 570955141 /nfs/dbraw/zinc/95/51/41/570955141.db2.gz UWXAHCWHVSTVSI-UHFFFAOYSA-N 1 2 389.524 4.676 50 0 GJAALO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000252444237 570957683 /nfs/dbraw/zinc/95/76/83/570957683.db2.gz XNNWXFLRPFDFMK-UZLBHIALSA-N 1 2 391.540 4.801 50 0 GJAALO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000252444237 570957685 /nfs/dbraw/zinc/95/76/85/570957685.db2.gz XNNWXFLRPFDFMK-UZLBHIALSA-N 1 2 391.540 4.801 50 0 GJAALO C[N@H+](Cc1coc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064405 570981185 /nfs/dbraw/zinc/98/11/85/570981185.db2.gz NGAGYLHIGIGWBX-NVXWUHKLSA-N 1 2 395.311 4.800 50 0 GJAALO C[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108064405 570981186 /nfs/dbraw/zinc/98/11/86/570981186.db2.gz NGAGYLHIGIGWBX-NVXWUHKLSA-N 1 2 395.311 4.800 50 0 GJAALO Cc1nn(C)cc1C[N@H+](C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019634101 571022305 /nfs/dbraw/zinc/02/23/05/571022305.db2.gz GYEPPAGUBXUTIY-UHFFFAOYSA-N 1 2 386.499 4.991 50 0 GJAALO Cc1nn(C)cc1C[N@@H+](C)Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000019634101 571022306 /nfs/dbraw/zinc/02/23/06/571022306.db2.gz GYEPPAGUBXUTIY-UHFFFAOYSA-N 1 2 386.499 4.991 50 0 GJAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000007738218 571028537 /nfs/dbraw/zinc/02/85/37/571028537.db2.gz WDMQZUKBYAJJEI-INIZCTEOSA-N 1 2 399.450 4.826 50 0 GJAALO CCCc1ccc(-c2csc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2)cc1 ZINC000012781911 571035410 /nfs/dbraw/zinc/03/54/10/571035410.db2.gz IGVAIKSFOWAHRH-UHFFFAOYSA-N 1 2 389.484 4.596 50 0 GJAALO CCc1[nH+]c2ccccc2c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C ZINC000000863150 206329418 /nfs/dbraw/zinc/32/94/18/206329418.db2.gz DQNHVMILWWKIQZ-ACCUITESSA-N 1 2 376.456 4.775 50 0 GJAALO Cc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2ccc(F)cc2)CC(C)C)cc1 ZINC000006724066 206667032 /nfs/dbraw/zinc/66/70/32/206667032.db2.gz QFRCUXJNXORTDI-UHFFFAOYSA-N 1 2 379.479 4.677 50 0 GJAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014992249 207038739 /nfs/dbraw/zinc/03/87/39/207038739.db2.gz KGOIZHGTVNKISJ-QHCPKHFHSA-N 1 2 395.449 4.636 50 0 GJAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014992249 207038741 /nfs/dbraw/zinc/03/87/41/207038741.db2.gz KGOIZHGTVNKISJ-QHCPKHFHSA-N 1 2 395.449 4.636 50 0 GJAALO COc1ccc(F)c(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 ZINC000015076063 207046789 /nfs/dbraw/zinc/04/67/89/207046789.db2.gz YKFDYNIISANDGW-OAQYLSRUSA-N 1 2 381.451 4.920 50 0 GJAALO COc1ccc(F)c(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 ZINC000015076063 207046794 /nfs/dbraw/zinc/04/67/94/207046794.db2.gz YKFDYNIISANDGW-OAQYLSRUSA-N 1 2 381.451 4.920 50 0 GJAALO COc1cccc(-c2noc(C[N@H+](C)Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000015298528 207050391 /nfs/dbraw/zinc/05/03/91/207050391.db2.gz GSQMERVLPQKFJZ-UHFFFAOYSA-N 1 2 378.259 4.684 50 0 GJAALO COc1cccc(-c2noc(C[N@@H+](C)Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000015298528 207050393 /nfs/dbraw/zinc/05/03/93/207050393.db2.gz GSQMERVLPQKFJZ-UHFFFAOYSA-N 1 2 378.259 4.684 50 0 GJAALO Cc1nn(C)c(Cl)c1C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019745479 207157911 /nfs/dbraw/zinc/15/79/11/207157911.db2.gz QUVQMBANTBUZLB-HXUWFJFHSA-N 1 2 385.870 4.657 50 0 GJAALO Cc1nn(C)c(Cl)c1C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019745479 207157915 /nfs/dbraw/zinc/15/79/15/207157915.db2.gz QUVQMBANTBUZLB-HXUWFJFHSA-N 1 2 385.870 4.657 50 0 GJAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019787477 207161500 /nfs/dbraw/zinc/16/15/00/207161500.db2.gz DOZGRSMJKAECFV-UHFFFAOYSA-N 1 2 398.428 4.817 50 0 GJAALO CCCCn1c2ccccc2n(CCOc2ccc(Br)cc2)c1=[NH2+] ZINC000019953936 207173151 /nfs/dbraw/zinc/17/31/51/207173151.db2.gz JHFTYOKJYIDRNL-UHFFFAOYSA-N 1 2 388.309 4.564 50 0 GJAALO CSc1ccc(Cl)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000022289401 207251015 /nfs/dbraw/zinc/25/10/15/207251015.db2.gz WGSWCDQFUQOSFZ-UHFFFAOYSA-N 1 2 381.954 4.757 50 0 GJAALO Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccccc3F)[nH+]c12 ZINC000025075010 207300019 /nfs/dbraw/zinc/30/00/19/207300019.db2.gz KDDNBDDZZDOHSE-UHFFFAOYSA-N 1 2 375.403 4.613 50 0 GJAALO CCc1[nH+]c2ccccc2n1CC(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000025125588 207301345 /nfs/dbraw/zinc/30/13/45/207301345.db2.gz UYNVBFNPGOSZFJ-UHFFFAOYSA-N 1 2 376.485 4.729 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 ZINC000025159273 207301909 /nfs/dbraw/zinc/30/19/09/207301909.db2.gz AGJYRHBCSXAZIT-FQEVSTJZSA-N 1 2 379.529 4.660 50 0 GJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccccc3Cl)n2)C1 ZINC000028685328 207346438 /nfs/dbraw/zinc/34/64/38/207346438.db2.gz MDFXTGKRMVZEJT-AWEZNQCLSA-N 1 2 377.941 4.600 50 0 GJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccccc3Cl)n2)C1 ZINC000028685328 207346444 /nfs/dbraw/zinc/34/64/44/207346444.db2.gz MDFXTGKRMVZEJT-AWEZNQCLSA-N 1 2 377.941 4.600 50 0 GJAALO COc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)cc1 ZINC000033020539 207431878 /nfs/dbraw/zinc/43/18/78/207431878.db2.gz ZIGFWNLFSJLXIY-UHFFFAOYSA-N 1 2 385.467 4.619 50 0 GJAALO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2[nH]cc[nH+]2)c1 ZINC000065406833 207868423 /nfs/dbraw/zinc/86/84/23/207868423.db2.gz DNHUYOUGMRHPAC-UHFFFAOYSA-N 1 2 383.835 4.548 50 0 GJAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1F)N1CCCCC1 ZINC000067288474 207887262 /nfs/dbraw/zinc/88/72/62/207887262.db2.gz PWAYYEIXDWVAOA-UHFFFAOYSA-N 1 2 381.426 4.751 50 0 GJAALO COc1ccc2cc(C[N@H+](C)Cc3ncc[nH]3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072407486 208017643 /nfs/dbraw/zinc/01/76/43/208017643.db2.gz BSXDWMPXDWRTPC-UHFFFAOYSA-N 1 2 392.890 4.919 50 0 GJAALO COc1ccc2cc(C[N@@H+](C)Cc3ncc[nH]3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072407486 208017646 /nfs/dbraw/zinc/01/76/46/208017646.db2.gz BSXDWMPXDWRTPC-UHFFFAOYSA-N 1 2 392.890 4.919 50 0 GJAALO COc1cccc([C@H](C)Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000079001627 208069150 /nfs/dbraw/zinc/06/91/50/208069150.db2.gz RWLNKQLOUWHSOH-KRWDZBQOSA-N 1 2 394.544 4.725 50 0 GJAALO O=C(c1c(Cl)cccc1Cl)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082139062 208083805 /nfs/dbraw/zinc/08/38/05/208083805.db2.gz QJSWEWYSZYQWHZ-UHFFFAOYSA-N 1 2 378.303 4.620 50 0 GJAALO Cc1cc(Cl)ccc1NC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096769294 209015247 /nfs/dbraw/zinc/01/52/47/209015247.db2.gz IRUQXVLCCQOGKJ-YVMONPNESA-N 1 2 385.964 4.676 50 0 GJAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)c1ccccc1F ZINC000006690763 220950836 /nfs/dbraw/zinc/95/08/36/220950836.db2.gz MVZANGJBWMFERB-UHFFFAOYSA-N 1 2 383.442 4.508 50 0 GJAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2)c1 ZINC000299797433 209090527 /nfs/dbraw/zinc/09/05/27/209090527.db2.gz NSEWAGYLGRPNLT-QGZVFWFLSA-N 1 2 388.467 4.628 50 0 GJAALO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)c(C)c1 ZINC000008012989 221023474 /nfs/dbraw/zinc/02/34/74/221023474.db2.gz VCIRWHZYVDBRNV-UHFFFAOYSA-N 1 2 384.483 4.904 50 0 GJAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)C1 ZINC000012793530 221232646 /nfs/dbraw/zinc/23/26/46/221232646.db2.gz WBAIXKCUWQRDSM-NSHDSACASA-N 1 2 384.332 4.934 50 0 GJAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)C1 ZINC000012793530 221232648 /nfs/dbraw/zinc/23/26/48/221232648.db2.gz WBAIXKCUWQRDSM-NSHDSACASA-N 1 2 384.332 4.934 50 0 GJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cc(F)cc(F)c1 ZINC000012997823 221254059 /nfs/dbraw/zinc/25/40/59/221254059.db2.gz LBHVUICTOHMCQU-IBGZPJMESA-N 1 2 390.480 4.674 50 0 GJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1cc(F)cc(F)c1 ZINC000012997823 221254061 /nfs/dbraw/zinc/25/40/61/221254061.db2.gz LBHVUICTOHMCQU-IBGZPJMESA-N 1 2 390.480 4.674 50 0 GJAALO Cc1cc[nH+]c(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000013284590 221264690 /nfs/dbraw/zinc/26/46/90/221264690.db2.gz VIHDQMBHVVQRIH-KGENOOAVSA-N 1 2 383.451 4.647 50 0 GJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)[nH+]1 ZINC000015825213 221346441 /nfs/dbraw/zinc/34/64/41/221346441.db2.gz MPDWDSJLZOELHU-UHFFFAOYSA-N 1 2 388.475 4.773 50 0 GJAALO CCOc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)cc1 ZINC000015863871 221350181 /nfs/dbraw/zinc/35/01/81/221350181.db2.gz XKJZXLDUKFBTIV-UHFFFAOYSA-N 1 2 385.467 4.999 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016352216 221360599 /nfs/dbraw/zinc/36/05/99/221360599.db2.gz LHPSNPCQTITLFZ-SFHVURJKSA-N 1 2 399.878 4.744 50 0 GJAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016352216 221360602 /nfs/dbraw/zinc/36/06/02/221360602.db2.gz LHPSNPCQTITLFZ-SFHVURJKSA-N 1 2 399.878 4.744 50 0 GJAALO FC(F)(F)c1cccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000020405008 221485631 /nfs/dbraw/zinc/48/56/31/221485631.db2.gz CJSMZXLYVVXJTJ-UHFFFAOYSA-N 1 2 377.435 4.637 50 0 GJAALO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)[nH+]3)C2=O)c(C)c1 ZINC000102618382 136190275 /nfs/dbraw/zinc/19/02/75/136190275.db2.gz HPMAEJJNXBJVNO-ZHZULCJRSA-N 1 2 383.451 4.647 50 0 GJAALO C[C@H](c1nnc(S[C@@H](C)c2cccnc2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000059324930 222055532 /nfs/dbraw/zinc/05/55/32/222055532.db2.gz NQECPEWBDKEMKM-KGLIPLIRSA-N 1 2 387.940 4.792 50 0 GJAALO Cc1ccc[nH+]c1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc21 ZINC000065455692 222129499 /nfs/dbraw/zinc/12/94/99/222129499.db2.gz NNDGSXBPWALWGJ-UHFFFAOYSA-N 1 2 381.439 4.699 50 0 GJAALO C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1ccsc1 ZINC000071810950 222197994 /nfs/dbraw/zinc/19/79/94/222197994.db2.gz VQQZAQYEJHLWDR-KRWDZBQOSA-N 1 2 383.344 4.850 50 0 GJAALO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1ccsc1 ZINC000071810950 222197996 /nfs/dbraw/zinc/19/79/96/222197996.db2.gz VQQZAQYEJHLWDR-KRWDZBQOSA-N 1 2 383.344 4.850 50 0 GJAALO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000095503179 222336382 /nfs/dbraw/zinc/33/63/82/222336382.db2.gz IXSMNYLIGRAQNZ-FQEVSTJZSA-N 1 2 381.476 4.552 50 0 GJAALO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000095503179 222336385 /nfs/dbraw/zinc/33/63/85/222336385.db2.gz IXSMNYLIGRAQNZ-FQEVSTJZSA-N 1 2 381.476 4.552 50 0 GJAALO CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000079110630 222303582 /nfs/dbraw/zinc/30/35/82/222303582.db2.gz XROFCGQMCBLDGT-XGRCMKMKSA-N 1 2 390.487 4.641 50 0 GJAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)C3=CCCCC3)csc2C1 ZINC000426574684 534364581 /nfs/dbraw/zinc/36/45/81/534364581.db2.gz HANIHNXBLNRGTA-CQSZACIVSA-N 1 2 399.560 4.530 50 0 GJAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)C3=CCCCC3)csc2C1 ZINC000426574684 534364589 /nfs/dbraw/zinc/36/45/89/534364589.db2.gz HANIHNXBLNRGTA-CQSZACIVSA-N 1 2 399.560 4.530 50 0 GJAALO CCC(=O)c1cccc(-c2cccc(C(=O)NCC[C@@H](C)n3cc[nH+]c3)c2)c1 ZINC000426388060 528469437 /nfs/dbraw/zinc/46/94/37/528469437.db2.gz VOCHQCYPYROUDI-QGZVFWFLSA-N 1 2 375.472 4.524 50 0 GJAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(C)cc3C)C2)nc[nH+]1 ZINC000065242407 535192688 /nfs/dbraw/zinc/19/26/88/535192688.db2.gz FTULGEOSNUNTDE-IBGZPJMESA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(C)cc3C)C2)[nH+]cn1 ZINC000065242407 535192693 /nfs/dbraw/zinc/19/26/93/535192693.db2.gz FTULGEOSNUNTDE-IBGZPJMESA-N 1 2 395.551 4.551 50 0 GJAALO CCCc1ccc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012811851 570225878 /nfs/dbraw/zinc/22/58/78/570225878.db2.gz UTMFFESYFFOARK-QFIPXVFZSA-N 1 2 389.528 4.556 50 0 GJAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000012847264 570265176 /nfs/dbraw/zinc/26/51/76/570265176.db2.gz VCBPGZKITUSGEA-JOCHJYFZSA-N 1 2 392.524 4.885 50 0 GJAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000012847264 570265179 /nfs/dbraw/zinc/26/51/79/570265179.db2.gz VCBPGZKITUSGEA-JOCHJYFZSA-N 1 2 392.524 4.885 50 0 GJAALO Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000012919584 570293876 /nfs/dbraw/zinc/29/38/76/570293876.db2.gz OTOUDZYKGMGWDS-CYBMUJFWSA-N 1 2 398.507 4.623 50 0 GJAALO Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000012919584 570293880 /nfs/dbraw/zinc/29/38/80/570293880.db2.gz OTOUDZYKGMGWDS-CYBMUJFWSA-N 1 2 398.507 4.623 50 0 GJAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000007449861 570335485 /nfs/dbraw/zinc/33/54/85/570335485.db2.gz WSYIKVIZVOMSLK-UHFFFAOYSA-N 1 2 387.405 4.683 50 0 GJAALO CC(C)CCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034906706 570339267 /nfs/dbraw/zinc/33/92/67/570339267.db2.gz RKUNNRLCGYNKEL-SFHVURJKSA-N 1 2 382.552 4.530 50 0 GJAALO Clc1ccc(N2CC[NH+](C/C(Br)=C/c3ccccc3)CC2)cc1 ZINC000023281175 570353884 /nfs/dbraw/zinc/35/38/84/570353884.db2.gz MLXKPCTZWYCRMI-VKAVYKQESA-N 1 2 391.740 4.898 50 0 GJAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000575616539 570357339 /nfs/dbraw/zinc/35/73/39/570357339.db2.gz JXJCTCJOHAYTFI-QGZVFWFLSA-N 1 2 388.496 4.555 50 0 GJAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1c1ccc(F)cc1 ZINC000008156674 570360060 /nfs/dbraw/zinc/36/00/60/570360060.db2.gz YKNLUDYBRPNKJE-QFIPXVFZSA-N 1 2 384.414 4.783 50 0 GJAALO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000022787054 570377222 /nfs/dbraw/zinc/37/72/22/570377222.db2.gz VMCYJYPRBJFYFX-JTQLQIEISA-N 1 2 386.236 4.595 50 0 GJAALO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccncc2)cc1 ZINC000004735673 570399422 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C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012909103 570291112 /nfs/dbraw/zinc/29/11/12/570291112.db2.gz CLJBSRIKGZFGFB-BBATYDOGSA-N 1 2 381.278 4.803 50 0 GJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000010764041 570292294 /nfs/dbraw/zinc/29/22/94/570292294.db2.gz WTRSMOKEMRXUFG-QGZVFWFLSA-N 1 2 392.524 4.712 50 0 GJAALO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCc2sccc2C1 ZINC000010764041 570292295 /nfs/dbraw/zinc/29/22/95/570292295.db2.gz WTRSMOKEMRXUFG-QGZVFWFLSA-N 1 2 392.524 4.712 50 0 GJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000021819354 570297047 /nfs/dbraw/zinc/29/70/47/570297047.db2.gz PBZATMMOEOQGOH-LJQANCHMSA-N 1 2 385.389 4.570 50 0 GJAALO C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000021822072 570297308 /nfs/dbraw/zinc/29/73/08/570297308.db2.gz QASVJOXNEUBZKY-UHFFFAOYSA-N 1 2 395.915 4.937 50 0 GJAALO C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000021822072 570297310 /nfs/dbraw/zinc/29/73/10/570297310.db2.gz QASVJOXNEUBZKY-UHFFFAOYSA-N 1 2 395.915 4.937 50 0 GJAALO Cc1cc(C)n(-c2ccc(=S)n(C[N@@H+](C)Cc3ccc(C(C)C)cc3)n2)n1 ZINC000012944607 570316242 /nfs/dbraw/zinc/31/62/42/570316242.db2.gz UNNOXGIMKSVKGW-UHFFFAOYSA-N 1 2 381.549 4.628 50 0 GJAALO Cc1cc(C)n(-c2ccc(=S)n(C[N@H+](C)Cc3ccc(C(C)C)cc3)n2)n1 ZINC000012944607 570316245 /nfs/dbraw/zinc/31/62/45/570316245.db2.gz UNNOXGIMKSVKGW-UHFFFAOYSA-N 1 2 381.549 4.628 50 0 GJAALO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000023186242 570348349 /nfs/dbraw/zinc/34/83/49/570348349.db2.gz OSUIHQQQTPAQCD-UHFFFAOYSA-N 1 2 378.447 4.513 50 0 GJAALO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000023186242 570348354 /nfs/dbraw/zinc/34/83/54/570348354.db2.gz OSUIHQQQTPAQCD-UHFFFAOYSA-N 1 2 378.447 4.513 50 0 GJAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCc2ccccc2Cl)o1 ZINC000035597052 570399592 /nfs/dbraw/zinc/39/95/92/570399592.db2.gz OSFUSLVUYKMWHH-UHFFFAOYSA-N 1 2 379.847 4.569 50 0 GJAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026758892 570428398 /nfs/dbraw/zinc/42/83/98/570428398.db2.gz HCPXQBCAVHACSL-ZDUSSCGKSA-N 1 2 392.450 4.593 50 0 GJAALO O=C(NCc1ccc(F)cc1)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028276785 570453664 /nfs/dbraw/zinc/45/36/64/570453664.db2.gz ZLZVFFIILJDUKJ-UHFFFAOYSA-N 1 2 391.471 4.696 50 0 GJAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccccc1 ZINC000030643810 570493040 /nfs/dbraw/zinc/49/30/40/570493040.db2.gz LTDMTIFGENAJRI-KRWDZBQOSA-N 1 2 377.435 4.911 50 0 GJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000033078139 570519303 /nfs/dbraw/zinc/51/93/03/570519303.db2.gz FIOXELDRIOTGRI-UHFFFAOYSA-N 1 2 391.450 4.520 50 0 GJAALO Cc1ccccc1Cn1cc[nH+]c1CN(C(=O)c1ccc(Cl)cc1)C(C)C ZINC000006690024 570533264 /nfs/dbraw/zinc/53/32/64/570533264.db2.gz NQASBVRXPHCSGC-UHFFFAOYSA-N 1 2 381.907 4.944 50 0 GJAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)CC(C)C ZINC000006690332 570533351 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COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000011933008 570593020 /nfs/dbraw/zinc/59/30/20/570593020.db2.gz FBUVXIDJPIEAKN-KRWDZBQOSA-N 1 2 396.512 4.815 50 0 GJAALO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000011933008 570593022 /nfs/dbraw/zinc/59/30/22/570593022.db2.gz FBUVXIDJPIEAKN-KRWDZBQOSA-N 1 2 396.512 4.815 50 0 GJAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036007200 570651488 /nfs/dbraw/zinc/65/14/88/570651488.db2.gz MNVZAXASRIFKJS-KSFYIVLOSA-N 1 2 396.581 4.977 50 0 GJAALO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000036007200 570651491 /nfs/dbraw/zinc/65/14/91/570651491.db2.gz MNVZAXASRIFKJS-KSFYIVLOSA-N 1 2 396.581 4.977 50 0 GJAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055072322 570681356 /nfs/dbraw/zinc/68/13/56/570681356.db2.gz WZCHKZDURDGTAY-KRWDZBQOSA-N 1 2 384.863 4.575 50 0 GJAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055072322 570681360 /nfs/dbraw/zinc/68/13/60/570681360.db2.gz WZCHKZDURDGTAY-KRWDZBQOSA-N 1 2 384.863 4.575 50 0 GJAALO Cc1nn(C)cc1C[N@@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000055073605 570681980 /nfs/dbraw/zinc/68/19/80/570681980.db2.gz DAMDWQWVNTUWDT-UHFFFAOYSA-N 1 2 385.511 4.610 50 0 GJAALO Cc1nn(C)cc1C[N@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000055073605 570681983 /nfs/dbraw/zinc/68/19/83/570681983.db2.gz DAMDWQWVNTUWDT-UHFFFAOYSA-N 1 2 385.511 4.610 50 0 GJAALO Cc1ccc(-n2cc(C[N@@H+](C)Cc3cnccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055090248 570682597 /nfs/dbraw/zinc/68/25/97/570682597.db2.gz GHTTYIHTDVBTLF-UHFFFAOYSA-N 1 2 383.499 4.578 50 0 GJAALO Cc1ccc(-n2cc(C[N@H+](C)Cc3cnccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000055090248 570682600 /nfs/dbraw/zinc/68/26/00/570682600.db2.gz GHTTYIHTDVBTLF-UHFFFAOYSA-N 1 2 383.499 4.578 50 0 GJAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c(F)c1 ZINC000036398726 570683571 /nfs/dbraw/zinc/68/35/71/570683571.db2.gz XXGGPWNPZFTBLO-FQEVSTJZSA-N 1 2 386.517 4.843 50 0 GJAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c(F)c1 ZINC000036398726 570683572 /nfs/dbraw/zinc/68/35/72/570683572.db2.gz XXGGPWNPZFTBLO-FQEVSTJZSA-N 1 2 386.517 4.843 50 0 GJAALO CC(C)c1nn(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(=S)n1C1CC1 ZINC000057991462 570705515 /nfs/dbraw/zinc/70/55/15/570705515.db2.gz BRAOAVWNALLYBT-IBGZPJMESA-N 1 2 386.565 4.511 50 0 GJAALO CC(C)c1nn(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(=S)n1C1CC1 ZINC000057991462 570705519 /nfs/dbraw/zinc/70/55/19/570705519.db2.gz BRAOAVWNALLYBT-IBGZPJMESA-N 1 2 386.565 4.511 50 0 GJAALO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000025054979 570708101 /nfs/dbraw/zinc/70/81/01/570708101.db2.gz ILGICLCWYYZAFF-XMMPIXPASA-N 1 2 398.510 4.660 50 0 GJAALO Cc1sc2nc([C@H](C)[NH+]3CCC(Nc4ccccc4C)CC3)[nH]c(=O)c2c1C ZINC000058178020 570716536 /nfs/dbraw/zinc/71/65/36/570716536.db2.gz NKUQIXATSBPNNS-HNNXBMFYSA-N 1 2 396.560 4.547 50 0 GJAALO COc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000036722712 570805579 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Cc1ccsc1-c1nc(C[N@H+](C)Cc2cc(-c3cccnc3)no2)c(C)o1 ZINC000071712172 570843256 /nfs/dbraw/zinc/84/32/56/570843256.db2.gz HHRHSLBHDBTGBJ-UHFFFAOYSA-N 1 2 380.473 4.702 50 0 GJAALO Cc1ccsc1-c1nc(C[N@@H+](C)Cc2cc(-c3cccnc3)no2)c(C)o1 ZINC000071712172 570843258 /nfs/dbraw/zinc/84/32/58/570843258.db2.gz HHRHSLBHDBTGBJ-UHFFFAOYSA-N 1 2 380.473 4.702 50 0 GJAALO CCOc1ccccc1CNC(=O)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264741 570883649 /nfs/dbraw/zinc/88/36/49/570883649.db2.gz KHNMPSYGSJAVFN-UHFFFAOYSA-N 1 2 399.494 4.677 50 0 GJAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000017013556 570924042 /nfs/dbraw/zinc/92/40/42/570924042.db2.gz FRLMYLIVVHCZAW-UHFFFAOYSA-N 1 2 381.867 4.500 50 0 GJAALO CC(C)c1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c2ccccc2n1 ZINC000025666223 570948399 /nfs/dbraw/zinc/94/83/99/570948399.db2.gz IIECVRMCURNJCU-UHFFFAOYSA-N 1 2 384.483 4.533 50 0 GJAALO CCOC(=O)C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000004796343 570994004 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ZINC000095505848 208206191 /nfs/dbraw/zinc/20/61/91/208206191.db2.gz VOTARRBAKPDZIN-MRXNPFEDSA-N 1 2 379.426 4.722 50 0 GJAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000026741439 208907887 /nfs/dbraw/zinc/90/78/87/208907887.db2.gz CNGYVULDENODEZ-FLSMSTFGSA-N 1 2 391.490 4.776 50 0 GJAALO COc1cccc([C@@H](C)N(C)C(=O)c2cccc(-c3[nH+]ccn3C(C)C)c2)c1 ZINC000299793715 209091697 /nfs/dbraw/zinc/09/16/97/209091697.db2.gz IGKBKQGYBAHQNV-QGZVFWFLSA-N 1 2 377.488 4.973 50 0 GJAALO Cc1cccn2cc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)[nH+]c12 ZINC000008424698 221040896 /nfs/dbraw/zinc/04/08/96/221040896.db2.gz CLNWHLWCQGZBED-UHFFFAOYSA-N 1 2 397.813 4.650 50 0 GJAALO C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009338152 221077787 /nfs/dbraw/zinc/07/77/87/221077787.db2.gz MRZJGMMHIQGSET-KRWDZBQOSA-N 1 2 387.439 4.535 50 0 GJAALO Cc1sc2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)nc(N)c2c1C ZINC000012640246 221217336 /nfs/dbraw/zinc/21/73/36/221217336.db2.gz 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c1cc(-c2nc(C[NH+]3CCN(c4nc5ccccc5s4)CC3)cs2)cs1 ZINC000012798207 221233904 /nfs/dbraw/zinc/23/39/04/221233904.db2.gz ORYPVZWSCRXYHU-UHFFFAOYSA-N 1 2 398.582 4.804 50 0 GJAALO Clc1ccc2[nH+]c(CSc3nnc(-c4c[nH]c5ccccc54)o3)cn2c1 ZINC000013124378 221262090 /nfs/dbraw/zinc/26/20/90/221262090.db2.gz OUDOYXWEHBGNAM-UHFFFAOYSA-N 1 2 381.848 4.811 50 0 GJAALO Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000040096411 132395575 /nfs/dbraw/zinc/39/55/75/132395575.db2.gz LKMUSJNKTOEDOW-UHFFFAOYSA-N 1 2 395.551 4.560 50 0 GJAALO c1c(-c2ccccc2)sc2ncnc(NC3CCN(c4cccc[nH+]4)CC3)c12 ZINC000071811023 136166756 /nfs/dbraw/zinc/16/67/56/136166756.db2.gz XWLIMCDVTHQURV-UHFFFAOYSA-N 1 2 387.512 4.834 50 0 GJAALO c1ccc(COc2ccc(-c3noc(C[N@@H+]4CCc5ccccc5C4)n3)cc2)cc1 ZINC000057427749 222032537 /nfs/dbraw/zinc/03/25/37/222032537.db2.gz OTXPAGRANNURTI-UHFFFAOYSA-N 1 2 397.478 4.874 50 0 GJAALO c1ccc(COc2ccc(-c3noc(C[N@H+]4CCc5ccccc5C4)n3)cc2)cc1 ZINC000057427749 222032541 /nfs/dbraw/zinc/03/25/41/222032541.db2.gz OTXPAGRANNURTI-UHFFFAOYSA-N 1 2 397.478 4.874 50 0 GJAALO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(F)c1F)[NH2+]C2 ZINC000055008570 222014840 /nfs/dbraw/zinc/01/48/40/222014840.db2.gz RRXBRLCQWPRPLA-QFIPXVFZSA-N 1 2 384.426 4.746 50 0 GJAALO O=C(/C=C/c1cccs1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130175 222066577 /nfs/dbraw/zinc/06/65/77/222066577.db2.gz IRSAVMSYLBNTPH-CMDGGOBGSA-N 1 2 377.513 4.564 50 0 GJAALO COc1ccc([C@H](C)Nc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288308 222144064 /nfs/dbraw/zinc/14/40/64/222144064.db2.gz BXISLVQNTMDFJH-HNNXBMFYSA-N 1 2 393.462 4.792 50 0 GJAALO O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095519184 222344859 /nfs/dbraw/zinc/34/48/59/222344859.db2.gz GHGQRHYWJVWHAX-OAQYLSRUSA-N 1 2 385.511 4.980 50 0 GJAALO Cc1ccc(F)c(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c1Cl ZINC000095525607 222351234 /nfs/dbraw/zinc/35/12/34/222351234.db2.gz HZBOZVOULDRWIA-UHFFFAOYSA-N 1 2 389.902 4.804 50 0 GJAALO O=C(Nc1ncccc1OC(F)F)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000095959722 222365677 /nfs/dbraw/zinc/36/56/77/222365677.db2.gz ZKFUSFSYNZBEAQ-UHFFFAOYSA-N 1 2 391.761 4.776 50 0 GJAALO Cc1nc(C(=O)NCCCCCc2[nH+]c3ccccc3n2C)c(C(C)C)s1 ZINC000096223441 222399830 /nfs/dbraw/zinc/39/98/30/222399830.db2.gz XPVPXEFUIKEFBE-UHFFFAOYSA-N 1 2 384.549 4.604 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3C)C2)nc[nH+]1 ZINC000065242462 535193436 /nfs/dbraw/zinc/19/34/36/535193436.db2.gz SOLVCAICCXNRTM-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3C)C2)[nH+]cn1 ZINC000065242462 535193439 /nfs/dbraw/zinc/19/34/39/535193439.db2.gz SOLVCAICCXNRTM-LJQANCHMSA-N 1 2 395.551 4.551 50 0 GJAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)c2cccc(C)c2)on1 ZINC000048324633 570236012 /nfs/dbraw/zinc/23/60/12/570236012.db2.gz YTGLUNIHEVXBOQ-QFIPXVFZSA-N 1 2 389.499 4.662 50 0 GJAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)c2cccc(C)c2)on1 ZINC000048324633 570236014 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Cc1cccc(N(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4[nH+]3)c2)c1 ZINC000072088678 570300775 /nfs/dbraw/zinc/30/07/75/570300775.db2.gz PAQFLXXKBVHZGL-UHFFFAOYSA-N 1 2 385.467 4.807 50 0 GJAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024000021 570341858 /nfs/dbraw/zinc/34/18/58/570341858.db2.gz ISESWLWYWYYHEF-DEOSSOPVSA-N 1 2 396.490 4.962 50 0 GJAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024000021 570341861 /nfs/dbraw/zinc/34/18/61/570341861.db2.gz ISESWLWYWYYHEF-DEOSSOPVSA-N 1 2 396.490 4.962 50 0 GJAALO CC(=O)Nc1ccc(C(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)cc1 ZINC000032960695 570397639 /nfs/dbraw/zinc/39/76/39/570397639.db2.gz SYPGEPYGGDEWLL-UHFFFAOYSA-N 1 2 398.466 4.559 50 0 GJAALO CCOc1ccc(-c2nc(C[N@H+](C)Cc3ccc4c(c3)OCO4)cs2)cc1 ZINC000026301200 570424413 /nfs/dbraw/zinc/42/44/13/570424413.db2.gz TWRGXAXCWOFAHZ-UHFFFAOYSA-N 1 2 382.485 4.570 50 0 GJAALO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)cs2)cc1 ZINC000026301200 570424417 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