smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+](C)Cc2noc3c2CCCC3)s1 ZINC000108859364 1126894213 /nfs/dbraw/zinc/89/42/13/1126894213.db2.gz HPRXLCWXDQHXOP-UHFFFAOYSA-N 1 2 276.405 3.555 50 0 CHAALO Cc1ccc(C[N@H+](C)Cc2noc3c2CCCC3)s1 ZINC000108859364 1126894216 /nfs/dbraw/zinc/89/42/16/1126894216.db2.gz HPRXLCWXDQHXOP-UHFFFAOYSA-N 1 2 276.405 3.555 50 0 CHAALO Cc1cc(-n2cc[nH+]c2)ccc1CSC1=NCCS1 ZINC000194518218 1119228496 /nfs/dbraw/zinc/22/84/96/1119228496.db2.gz SPZHUAGASKRDSY-UHFFFAOYSA-N 1 2 289.429 3.517 50 0 CHAALO CCn1ccnc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC000216097415 1125426669 /nfs/dbraw/zinc/42/66/69/1125426669.db2.gz RNMOITXQPMRKOW-UHFFFAOYSA-N 1 2 298.434 3.633 50 0 CHAALO CCn1ccnc1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC000216097415 1125426672 /nfs/dbraw/zinc/42/66/72/1125426672.db2.gz RNMOITXQPMRKOW-UHFFFAOYSA-N 1 2 298.434 3.633 50 0 CHAALO CCC[C@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OC(C)(C)C ZINC000095943447 185037446 /nfs/dbraw/zinc/03/74/46/185037446.db2.gz AEHZIUTZCQPDLH-JSGCOSHPSA-N 1 2 297.464 3.779 50 0 CHAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000095977291 185051627 /nfs/dbraw/zinc/05/16/27/185051627.db2.gz XCRLVWZOXUMFIH-AWEZNQCLSA-N 1 2 293.370 3.930 50 0 CHAALO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000095977291 185051629 /nfs/dbraw/zinc/05/16/29/185051629.db2.gz XCRLVWZOXUMFIH-AWEZNQCLSA-N 1 2 293.370 3.930 50 0 CHAALO COc1ccc2c(c1)/C(=C/C=C1C=C[NH+](C)C=C1)C=N2 ZINC000334157087 206121233 /nfs/dbraw/zinc/12/12/33/206121233.db2.gz DTOJGWRGDGMHBF-LNKIKWGQSA-N 1 2 264.328 3.694 50 0 CHAALO CCCCC[C@@H](C)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000005866244 170148911 /nfs/dbraw/zinc/14/89/11/170148911.db2.gz SBSATEQMPCDNCN-GFCCVEGCSA-N 1 2 261.369 3.895 50 0 CHAALO CC(=O)Nc1ccc(Oc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000006499225 170206947 /nfs/dbraw/zinc/20/69/47/170206947.db2.gz SLVPQPIWUUYFGR-UHFFFAOYSA-N 1 2 281.315 3.622 50 0 CHAALO Cc1c2[nH+]c3ccccc3n2cnc1-c1ccccc1 ZINC000009156344 170365083 /nfs/dbraw/zinc/36/50/83/170365083.db2.gz RZWKZHROLZPNDK-UHFFFAOYSA-N 1 2 259.312 3.858 50 0 CHAALO Cc1cc(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)no1 ZINC000044089853 175141003 /nfs/dbraw/zinc/14/10/03/175141003.db2.gz NAJYFHVZNGWNDG-GFCCVEGCSA-N 1 2 270.332 3.922 50 0 CHAALO Cc1cc(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)no1 ZINC000044089853 175141004 /nfs/dbraw/zinc/14/10/04/175141004.db2.gz NAJYFHVZNGWNDG-GFCCVEGCSA-N 1 2 270.332 3.922 50 0 CHAALO Cc1cc(C2CCC2)nc(N[C@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000071750620 176259627 /nfs/dbraw/zinc/25/96/27/176259627.db2.gz MCWGRWCTIIFCQD-HNNXBMFYSA-N 1 2 299.422 3.595 50 0 CHAALO Cc1ccc(-c2[nH+]ccn2CCCO)c(Cl)c1Cl ZINC000071750803 176259977 /nfs/dbraw/zinc/25/99/77/176259977.db2.gz IRFGHXBAQLUUQR-UHFFFAOYSA-N 1 2 285.174 3.548 50 0 CHAALO CC(C)n1cc[nH+]c1-c1cnc(NCc2ccccc2)nc1 ZINC000071750850 176260169 /nfs/dbraw/zinc/26/01/69/176260169.db2.gz POWCLQWBAJCJBB-UHFFFAOYSA-N 1 2 293.374 3.533 50 0 CHAALO Cc1ccc2nc(Cn3cc[nH+]c3[C@H]3CC=CCC3)[nH]c2c1 ZINC000072149261 176326341 /nfs/dbraw/zinc/32/63/41/176326341.db2.gz WIQLNJPXNFVIOU-AWEZNQCLSA-N 1 2 292.386 3.940 50 0 CHAALO Cc1ccc2[nH]c(Cn3cc[nH+]c3[C@H]3CC=CCC3)nc2c1 ZINC000072149261 176326342 /nfs/dbraw/zinc/32/63/42/176326342.db2.gz WIQLNJPXNFVIOU-AWEZNQCLSA-N 1 2 292.386 3.940 50 0 CHAALO Cc1nc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)co1 ZINC000077343947 177254373 /nfs/dbraw/zinc/25/43/73/177254373.db2.gz LXLRPZQNRAGRSG-AWEZNQCLSA-N 1 2 299.399 3.930 50 0 CHAALO Cc1nc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)co1 ZINC000077343947 177254374 /nfs/dbraw/zinc/25/43/74/177254374.db2.gz LXLRPZQNRAGRSG-AWEZNQCLSA-N 1 2 299.399 3.930 50 0 CHAALO O=C(CCc1cccs1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029917538 326885427 /nfs/dbraw/zinc/88/54/27/326885427.db2.gz PPPKLKKBFBMEFV-UHFFFAOYSA-N 1 2 297.383 3.505 50 0 CHAALO Cc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)no1 ZINC000182573871 534391328 /nfs/dbraw/zinc/39/13/28/534391328.db2.gz SSZQGVGOFLRURH-OAHLLOKOSA-N 1 2 291.782 3.662 50 0 CHAALO Cc1nc([C@@H]2CCCN2c2[nH]c3ccccc3[nH+]2)cs1 ZINC000275012882 527054475 /nfs/dbraw/zinc/05/44/75/527054475.db2.gz JWRKCELGYBWLLP-AWEZNQCLSA-N 1 2 284.388 3.669 50 0 CHAALO Clc1ccc2[nH+]c(CSc3ccccn3)cn2c1 ZINC000012573011 566852252 /nfs/dbraw/zinc/85/22/52/566852252.db2.gz HYJKMLWPKCGRLN-UHFFFAOYSA-N 1 2 275.764 3.675 50 0 CHAALO CC(C)c1[nH]c2cc(CCC(=O)NC3CCCC3)ccc2[nH+]1 ZINC000075478727 566959091 /nfs/dbraw/zinc/95/90/91/566959091.db2.gz JNZUXOHTDJOVPY-UHFFFAOYSA-N 1 2 299.418 3.678 50 0 CHAALO CC(C)c1[nH]c2ccc(CCC(=O)NC3CCCC3)cc2[nH+]1 ZINC000075478727 566959096 /nfs/dbraw/zinc/95/90/96/566959096.db2.gz JNZUXOHTDJOVPY-UHFFFAOYSA-N 1 2 299.418 3.678 50 0 CHAALO Cc1cnc(C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)o1 ZINC000191675719 566962563 /nfs/dbraw/zinc/96/25/63/566962563.db2.gz GXJNGRAOTZTLJJ-LBPRGKRZSA-N 1 2 292.329 3.641 50 0 CHAALO Cc1cnc(C[N@H+]2CCC[C@H](c3cc(F)ccc3F)C2)o1 ZINC000191675719 566962569 /nfs/dbraw/zinc/96/25/69/566962569.db2.gz GXJNGRAOTZTLJJ-LBPRGKRZSA-N 1 2 292.329 3.641 50 0 CHAALO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000065501303 567007372 /nfs/dbraw/zinc/00/73/72/567007372.db2.gz PLQDFHHXYGRSIK-SNVBAGLBSA-N 1 2 290.329 3.746 50 0 CHAALO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000065501303 567007377 /nfs/dbraw/zinc/00/73/77/567007377.db2.gz PLQDFHHXYGRSIK-SNVBAGLBSA-N 1 2 290.329 3.746 50 0 CHAALO Cc1cnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000170606437 567014256 /nfs/dbraw/zinc/01/42/56/567014256.db2.gz UEBXVXFELVHBKK-SNVBAGLBSA-N 1 2 284.281 3.853 50 0 CHAALO Cc1c(NCc2[nH]cc[nH+]2)cccc1OC1CCCC1 ZINC000095429052 567131458 /nfs/dbraw/zinc/13/14/58/567131458.db2.gz SXLPLMRQEVFCHS-UHFFFAOYSA-N 1 2 271.364 3.652 50 0 CHAALO CCc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)C)o2)o1 ZINC000096410348 567142986 /nfs/dbraw/zinc/14/29/86/567142986.db2.gz ZIFIVUAWAOSZLZ-ZDUSSCGKSA-N 1 2 289.379 3.686 50 0 CHAALO CCc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)C)o2)o1 ZINC000096410348 567142988 /nfs/dbraw/zinc/14/29/88/567142988.db2.gz ZIFIVUAWAOSZLZ-ZDUSSCGKSA-N 1 2 289.379 3.686 50 0 CHAALO C[N@H+](Cc1nc(C2CC2)no1)Cc1cccc2ccccc21 ZINC000012429904 567863351 /nfs/dbraw/zinc/86/33/51/567863351.db2.gz XNWXJEVHGHVBGO-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO C[N@@H+](Cc1nc(C2CC2)no1)Cc1cccc2ccccc21 ZINC000012429904 567863352 /nfs/dbraw/zinc/86/33/52/567863352.db2.gz XNWXJEVHGHVBGO-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO Clc1ccc(OCCn2cc[nH+]c2)c2ccccc12 ZINC000003876250 567888304 /nfs/dbraw/zinc/88/83/04/567888304.db2.gz KXNPESKMWXONKH-UHFFFAOYSA-N 1 2 272.735 3.769 50 0 CHAALO Cc1ccsc1-c1nc(C[NH+]2CCSCC2)c(C)o1 ZINC000064044260 567897448 /nfs/dbraw/zinc/89/74/48/567897448.db2.gz DUZCMCJBALTISD-UHFFFAOYSA-N 1 2 294.445 3.569 50 0 CHAALO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000064666927 567898117 /nfs/dbraw/zinc/89/81/17/567898117.db2.gz BBNQPNYPCTUXMJ-OAHLLOKOSA-N 1 2 292.329 3.852 50 0 CHAALO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000064666927 567898118 /nfs/dbraw/zinc/89/81/18/567898118.db2.gz BBNQPNYPCTUXMJ-OAHLLOKOSA-N 1 2 292.329 3.852 50 0 CHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)c1n[nH]c(C2CC2)n1 ZINC000065417559 567898940 /nfs/dbraw/zinc/89/89/40/567898940.db2.gz SRKOICDWQMZFFT-CYBMUJFWSA-N 1 2 295.390 3.594 50 0 CHAALO CC[C@H](C)N(C(=O)c1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000065508860 567899480 /nfs/dbraw/zinc/89/94/80/567899480.db2.gz NEVQZJPMRVHFOM-ZDUSSCGKSA-N 1 2 285.391 3.518 50 0 CHAALO CSc1ccc(-c2nc(Cn3c[nH+]c(C)c3)c(C)o2)cc1 ZINC000067513623 567900186 /nfs/dbraw/zinc/90/01/86/567900186.db2.gz COJYGWARSGBNQV-UHFFFAOYSA-N 1 2 299.399 3.925 50 0 CHAALO CCOc1ccc(-c2[nH+]ccn2C2CCCC2)cc1CO ZINC000067770925 567900851 /nfs/dbraw/zinc/90/08/51/567900851.db2.gz HNKJVGCXPGWPCP-UHFFFAOYSA-N 1 2 286.375 3.556 50 0 CHAALO Fc1cc(Cl)cc(-c2[nH+]ccn2CC2CCOCC2)c1 ZINC000071761476 567901833 /nfs/dbraw/zinc/90/18/33/567901833.db2.gz HOYJYAMHIOYQOA-UHFFFAOYSA-N 1 2 294.757 3.769 50 0 CHAALO Cc1cc(CSCc2[nH+]ccn2Cc2ccccc2)no1 ZINC000072701906 567903411 /nfs/dbraw/zinc/90/34/11/567903411.db2.gz FPAVWUOZSLCABF-UHFFFAOYSA-N 1 2 299.399 3.661 50 0 CHAALO C[C@H](CC[N@H+](C)Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000097217637 567910399 /nfs/dbraw/zinc/91/03/99/567910399.db2.gz GVFXVYQBYAWVBU-CQSZACIVSA-N 1 2 299.418 3.963 50 0 CHAALO C[C@H](CC[N@@H+](C)Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000097217637 567910401 /nfs/dbraw/zinc/91/04/01/567910401.db2.gz GVFXVYQBYAWVBU-CQSZACIVSA-N 1 2 299.418 3.963 50 0 CHAALO CC(C)C[C@@H]1CCCC[C@@H]1OC(=O)C[NH+]1CCCCC1 ZINC000000171882 567924480 /nfs/dbraw/zinc/92/44/80/567924480.db2.gz SIXWBKPDADVZKS-HOTGVXAUSA-N 1 2 281.440 3.620 50 0 CHAALO Cc1cc2c(ncnc2Nc2ccc([NH+](C)C)cc2)s1 ZINC000004931975 567927694 /nfs/dbraw/zinc/92/76/94/567927694.db2.gz XVPJGSQBBKSNIF-UHFFFAOYSA-N 1 2 284.388 3.809 50 0 CHAALO Clc1cccc(Cl)c1COc1cc[nH+]cc1 ZINC000000543061 567942856 /nfs/dbraw/zinc/94/28/56/567942856.db2.gz AJAAZFRKQXONLE-UHFFFAOYSA-N 1 2 254.116 3.967 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1ccccc1OC ZINC000000531034 570286191 /nfs/dbraw/zinc/28/61/91/570286191.db2.gz AWACKYBLSACVPZ-UHFFFAOYSA-N 1 2 281.359 3.677 50 0 CHAALO CN(C)c1ccc2cc(-c3ccccc3F)c(N)[nH+]c2c1 ZINC000216492446 570301427 /nfs/dbraw/zinc/30/14/27/570301427.db2.gz RHAQINSYYSNKKI-UHFFFAOYSA-N 1 2 281.334 3.689 50 0 in-vitro CHAALO Cc1ccc(-c2ccc(C[N@H+](C)Cc3ncc[nH]3)cc2)o1 ZINC000215196308 570302349 /nfs/dbraw/zinc/30/23/49/570302349.db2.gz JHRRJSNEWXLTCO-UHFFFAOYSA-N 1 2 281.359 3.610 50 0 CHAALO Cc1ccc(-c2ccc(C[N@@H+](C)Cc3ncc[nH]3)cc2)o1 ZINC000215196308 570302350 /nfs/dbraw/zinc/30/23/50/570302350.db2.gz JHRRJSNEWXLTCO-UHFFFAOYSA-N 1 2 281.359 3.610 50 0 CHAALO Cc1ccc(-c2ccc(CN(C)Cc3[nH]cc[nH+]3)cc2)o1 ZINC000215196308 570302351 /nfs/dbraw/zinc/30/23/51/570302351.db2.gz JHRRJSNEWXLTCO-UHFFFAOYSA-N 1 2 281.359 3.610 50 0 CHAALO C[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccccn1 ZINC000216128129 570305239 /nfs/dbraw/zinc/30/52/39/570305239.db2.gz DPWGACVPSHAOBM-UHFFFAOYSA-N 1 2 295.411 3.837 50 0 CHAALO C[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccccn1 ZINC000216128129 570305242 /nfs/dbraw/zinc/30/52/42/570305242.db2.gz DPWGACVPSHAOBM-UHFFFAOYSA-N 1 2 295.411 3.837 50 0 CHAALO C[C@@H]1[C@@H](c2ccccc2)O[C@@H](c2cccs2)[N@H+]1C ZINC000033383550 570312083 /nfs/dbraw/zinc/31/20/83/570312083.db2.gz UFDNKBVVFFWGRF-UGFHNGPFSA-N 1 2 259.374 3.839 50 0 CHAALO C[C@@H]1[C@@H](c2ccccc2)O[C@@H](c2cccs2)[N@@H+]1C ZINC000033383550 570312081 /nfs/dbraw/zinc/31/20/81/570312081.db2.gz UFDNKBVVFFWGRF-UGFHNGPFSA-N 1 2 259.374 3.839 50 0 CHAALO CC[C@@H](c1ccccn1)[N@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC000244718791 570320899 /nfs/dbraw/zinc/32/08/99/570320899.db2.gz LQWPIMMLAYZDGJ-KRWDZBQOSA-N 1 2 294.402 3.849 50 0 CHAALO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC000244718791 570320904 /nfs/dbraw/zinc/32/09/04/570320904.db2.gz LQWPIMMLAYZDGJ-KRWDZBQOSA-N 1 2 294.402 3.849 50 0 CHAALO CC[C@@H](c1ccccn1)[N@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC000244718791 570320907 /nfs/dbraw/zinc/32/09/07/570320907.db2.gz LQWPIMMLAYZDGJ-KRWDZBQOSA-N 1 2 294.402 3.849 50 0 CHAALO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC000244718791 570320912 /nfs/dbraw/zinc/32/09/12/570320912.db2.gz LQWPIMMLAYZDGJ-KRWDZBQOSA-N 1 2 294.402 3.849 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119209 570362622 /nfs/dbraw/zinc/36/26/22/570362622.db2.gz RHYQFWXQSWYBTH-OAHLLOKOSA-N 1 2 275.371 3.734 50 0 CHAALO FC(F)(F)C1=[NH+]CCNC(c2ccc3ccccc3c2)=C1 ZINC000002562083 570371108 /nfs/dbraw/zinc/37/11/08/570371108.db2.gz IDOZJKAWMRBWEK-UHFFFAOYSA-N 1 2 290.288 3.787 50 0 CHAALO Cc1ccoc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000158128924 570395256 /nfs/dbraw/zinc/39/52/56/570395256.db2.gz AUMKMDYSAAKCIP-UHFFFAOYSA-N 1 2 271.364 3.585 50 0 CHAALO Cc1noc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069738825 570402544 /nfs/dbraw/zinc/40/25/44/570402544.db2.gz KFGKWCLWFAHQQA-BMIGLBTASA-N 1 2 289.354 3.709 50 0 CHAALO Cc1cc(OCCCn2cc[nH+]c2)cc(C)c1Cl ZINC000002902041 1119156645 /nfs/dbraw/zinc/15/66/45/1119156645.db2.gz UOLVTUVNQRAZPK-UHFFFAOYSA-N 1 2 264.756 3.622 50 0 CHAALO Cc1cc(OCc2nccn2C(F)F)c2ccccc2[nH+]1 ZINC000170612187 1126996138 /nfs/dbraw/zinc/99/61/38/1126996138.db2.gz GWTFXNTYRGZWBW-UHFFFAOYSA-N 1 2 289.285 3.714 50 0 CHAALO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccon1 ZINC000070012410 1121262635 /nfs/dbraw/zinc/26/26/35/1121262635.db2.gz HLSCNLQRXNKIMU-JTQLQIEISA-N 1 2 250.729 3.521 50 0 CHAALO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccon1 ZINC000070012410 1121262639 /nfs/dbraw/zinc/26/26/39/1121262639.db2.gz HLSCNLQRXNKIMU-JTQLQIEISA-N 1 2 250.729 3.521 50 0 CHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)on1 ZINC000052821755 1123003107 /nfs/dbraw/zinc/00/31/07/1123003107.db2.gz IVTHJPPXDWIWTM-CYBMUJFWSA-N 1 2 299.399 3.930 50 0 CHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)on1 ZINC000052821755 1123003111 /nfs/dbraw/zinc/00/31/11/1123003111.db2.gz IVTHJPPXDWIWTM-CYBMUJFWSA-N 1 2 299.399 3.930 50 0 CHAALO c1cn(Cc2ccc(-c3cccc4cnccc43)nc2)c[nH+]1 ZINC000216098676 1125426502 /nfs/dbraw/zinc/42/65/02/1125426502.db2.gz PVLXMNHMRNWGDX-UHFFFAOYSA-N 1 2 286.338 3.542 50 0 CHAALO Cc1cc(N[C@@H](c2cccc(F)c2)c2ccccn2)nc[nH+]1 ZINC000096487425 230381940 /nfs/dbraw/zinc/38/19/40/230381940.db2.gz DQZLELHKNBIXPQ-KRWDZBQOSA-N 1 2 294.333 3.521 50 0 CHAALO C[N@H+](Cn1ncsc1=S)[C@H]1CCCc2ccccc21 ZINC000095947971 185038123 /nfs/dbraw/zinc/03/81/23/185038123.db2.gz DPCGBFDVEXTGOF-ZDUSSCGKSA-N 1 2 291.445 3.641 50 0 CHAALO C[N@@H+](Cn1ncsc1=S)[C@H]1CCCc2ccccc21 ZINC000095947971 185038124 /nfs/dbraw/zinc/03/81/24/185038124.db2.gz DPCGBFDVEXTGOF-ZDUSSCGKSA-N 1 2 291.445 3.641 50 0 CHAALO FC(F)(F)c1ccc(CCCn2cc[nH+]c2)cc1 ZINC000091504286 180175369 /nfs/dbraw/zinc/17/53/69/180175369.db2.gz IZRBFEUSKHXJSZ-UHFFFAOYSA-N 1 2 254.255 3.535 50 0 CHAALO CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2[nH]cc(C)[nH+]2)C1 ZINC000091966006 180294217 /nfs/dbraw/zinc/29/42/17/180294217.db2.gz RQPIOCUGKMKFBF-KRWDZBQOSA-N 1 2 289.423 3.593 50 0 CHAALO Cc1ccc(C(C)C)c(OCCCn2cc[nH+]c2)c1 ZINC000004810518 170021266 /nfs/dbraw/zinc/02/12/66/170021266.db2.gz GAZHSMWUSXJXCI-UHFFFAOYSA-N 1 2 258.365 3.784 50 0 CHAALO CC[N@H+](Cc1ccccc1)Cc1c(F)cccc1F ZINC000004996365 170051526 /nfs/dbraw/zinc/05/15/26/170051526.db2.gz GHGXISCVVAWUCM-UHFFFAOYSA-N 1 2 261.315 3.987 50 0 CHAALO CC[N@@H+](Cc1ccccc1)Cc1c(F)cccc1F ZINC000004996365 170051528 /nfs/dbraw/zinc/05/15/28/170051528.db2.gz GHGXISCVVAWUCM-UHFFFAOYSA-N 1 2 261.315 3.987 50 0 CHAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C)CC1 ZINC000007389262 170282425 /nfs/dbraw/zinc/28/24/25/170282425.db2.gz PGNPCILAJMKQEW-LLVKDONJSA-N 1 2 298.789 3.538 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)c1cc(C)ccc1C ZINC000007454324 170285907 /nfs/dbraw/zinc/28/59/07/170285907.db2.gz BXXFYSHVRBOEIR-UHFFFAOYSA-N 1 2 278.355 3.844 50 0 CHAALO Clc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000021799956 171325790 /nfs/dbraw/zinc/32/57/90/171325790.db2.gz PTGOHIWZNQSZNY-UHFFFAOYSA-N 1 2 289.810 3.838 50 0 CHAALO Clc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000021799956 171325791 /nfs/dbraw/zinc/32/57/91/171325791.db2.gz PTGOHIWZNQSZNY-UHFFFAOYSA-N 1 2 289.810 3.838 50 0 CHAALO C[N@H+](Cc1ccco1)Cc1nc2ccccc2n1C(F)F ZINC000043507476 175059781 /nfs/dbraw/zinc/05/97/81/175059781.db2.gz UDJYSUDCUGCGHO-UHFFFAOYSA-N 1 2 291.301 3.656 50 0 CHAALO C[N@@H+](Cc1ccco1)Cc1nc2ccccc2n1C(F)F ZINC000043507476 175059782 /nfs/dbraw/zinc/05/97/82/175059782.db2.gz UDJYSUDCUGCGHO-UHFFFAOYSA-N 1 2 291.301 3.656 50 0 CHAALO CCCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000044124393 175143716 /nfs/dbraw/zinc/14/37/16/175143716.db2.gz LNMDSBNLWJRHEY-MRXNPFEDSA-N 1 2 275.392 3.557 50 0 CHAALO CC(C)[C@@H](Nc1nccc(C2CCCC2)n1)c1[nH+]ccn1C ZINC000071404024 176155250 /nfs/dbraw/zinc/15/52/50/176155250.db2.gz FGZYFGRKYQYRKI-OAHLLOKOSA-N 1 2 299.422 3.677 50 0 CHAALO Cc1nnc(C[N@@H+]2CCCC[C@@H]2c2cccc(F)c2)s1 ZINC000072145823 176325137 /nfs/dbraw/zinc/32/51/37/176325137.db2.gz XYPHZLDRFSDKFW-CQSZACIVSA-N 1 2 291.395 3.713 50 0 CHAALO Cc1nnc(C[N@H+]2CCCC[C@@H]2c2cccc(F)c2)s1 ZINC000072145823 176325138 /nfs/dbraw/zinc/32/51/38/176325138.db2.gz XYPHZLDRFSDKFW-CQSZACIVSA-N 1 2 291.395 3.713 50 0 CHAALO C[C@@H](CCc1ccco1)n1cc[nH+]c1-c1ccncc1 ZINC000072407765 176397999 /nfs/dbraw/zinc/39/79/99/176397999.db2.gz GJOWPWVSISGHCZ-ZDUSSCGKSA-N 1 2 267.332 3.732 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000121356218 526240229 /nfs/dbraw/zinc/24/02/29/526240229.db2.gz SAYRWBXPJYYGRE-MRXNPFEDSA-N 1 2 295.386 3.934 50 0 CHAALO O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cc[nH+]cc1 ZINC000000398381 570342863 /nfs/dbraw/zinc/34/28/63/570342863.db2.gz NWOIDKLTAFNNFN-UHFFFAOYSA-N 1 2 283.114 3.999 50 0 CHAALO Cc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000117560819 566944378 /nfs/dbraw/zinc/94/43/78/566944378.db2.gz DLPVKZSPHAJSHF-UHFFFAOYSA-N 1 2 291.354 3.741 50 0 CHAALO CCc1nnc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000170606438 567013587 /nfs/dbraw/zinc/01/35/87/567013587.db2.gz HZVNRWRNIGSNKY-SECBINFHSA-N 1 2 299.296 3.502 50 0 CHAALO Cc1nc(C)c(CNc2cc(C(F)(F)F)cc[nH+]2)s1 ZINC000170604215 567013940 /nfs/dbraw/zinc/01/39/40/567013940.db2.gz CPKLGSVOZCVDJR-UHFFFAOYSA-N 1 2 287.310 3.786 50 0 CHAALO c1cc(N2CCC[C@H]2C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000170626209 567015127 /nfs/dbraw/zinc/01/51/27/567015127.db2.gz WRFBUWXONAPLII-HNNXBMFYSA-N 1 2 271.408 3.903 50 0 CHAALO COc1cccc2c(N[C@@H](C)c3nccs3)cc[nH+]c12 ZINC000193482760 567060966 /nfs/dbraw/zinc/06/09/66/567060966.db2.gz BHWFOVYYYKEDNP-JTQLQIEISA-N 1 2 285.372 3.873 50 0 CHAALO c1cc2c(s1)SCc1ccccc1[C@@H]2c1c[nH]c[nH+]1 ZINC000138105408 567092497 /nfs/dbraw/zinc/09/24/97/567092497.db2.gz MZOISKJAKIFWPQ-KBPBESRZSA-N 1 2 284.409 3.967 50 0 CHAALO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccn1 ZINC000095349351 567129714 /nfs/dbraw/zinc/12/97/14/567129714.db2.gz RDOQRUWYOYYMFD-BEFAXECRSA-N 1 2 289.382 3.917 50 0 CHAALO CCn1cc[nH+]c1-c1cccc(NCc2ccco2)c1 ZINC000095429364 567133500 /nfs/dbraw/zinc/13/35/00/567133500.db2.gz ORNNNEZMMVYSHE-UHFFFAOYSA-N 1 2 267.332 3.775 50 0 CHAALO Cc1cc2[nH+]cn(CN(C)Cc3ccc(F)cc3)c2cc1C ZINC000057535875 567158661 /nfs/dbraw/zinc/15/86/61/567158661.db2.gz VXLFZCNZVNBTGH-UHFFFAOYSA-N 1 2 297.377 3.882 50 0 CHAALO C[C@@H]1CCc2c([nH+]c3sc4c(c3c2N)CCCC4)C1 ZINC000003213761 567162016 /nfs/dbraw/zinc/16/20/16/567162016.db2.gz NHXKBWDWRQKPLQ-SECBINFHSA-N 1 2 272.417 3.882 50 0 CHAALO CCn1c2ccccc2n2cc(-c3ccccc3)[nH+]c21 ZINC000000034782 567816716 /nfs/dbraw/zinc/81/67/16/567816716.db2.gz ZBPBYCGBRXFSNR-UHFFFAOYSA-N 1 2 261.328 3.976 50 0 CHAALO COc1ccc([NH2+]CCC(=O)c2ccc(C)cc2)cc1 ZINC000002522040 567847477 /nfs/dbraw/zinc/84/74/77/567847477.db2.gz OHTCLRXADSPUSB-UHFFFAOYSA-N 1 2 269.344 3.689 50 0 CHAALO Cc1cnc(C[NH2+][C@@H](C)c2ccc(Cl)s2)o1 ZINC000097374230 567859809 /nfs/dbraw/zinc/85/98/09/567859809.db2.gz HUIOFRISBMCTEE-QMMMGPOBSA-N 1 2 256.758 3.549 50 0 CHAALO c1cn(CCCCOc2ccc3ccccc3c2)c[nH+]1 ZINC000013285528 567865746 /nfs/dbraw/zinc/86/57/46/567865746.db2.gz YHCJQJXSZWDJFO-UHFFFAOYSA-N 1 2 266.344 3.896 50 0 CHAALO CSc1[nH+]ccc2c1ccn2Cc1ccc(F)cc1 ZINC000032918856 567886231 /nfs/dbraw/zinc/88/62/31/567886231.db2.gz WRGMCQNPPCUYDN-UHFFFAOYSA-N 1 2 272.348 3.946 50 0 CHAALO O=C(c1ccccc1)c1cc(Cl)ccc1-n1cc[nH+]c1 ZINC000034278101 567886947 /nfs/dbraw/zinc/88/69/47/567886947.db2.gz GFEBYYXDXMODAG-UHFFFAOYSA-N 1 2 282.730 3.757 50 0 CHAALO CC[C@@H](Nc1cc(C(C)C)[nH+]c(C)n1)c1ccccn1 ZINC000065375010 567898530 /nfs/dbraw/zinc/89/85/30/567898530.db2.gz BXOWBRBEWYFKBC-CYBMUJFWSA-N 1 2 270.380 3.867 50 0 CHAALO Cc1ccc(-c2ccc(C[N@H+](C)Cc3ccon3)cc2)o1 ZINC000097655559 567910785 /nfs/dbraw/zinc/91/07/85/567910785.db2.gz ZYXFRVRQWZYYCO-UHFFFAOYSA-N 1 2 282.343 3.875 50 0 CHAALO Cc1ccc(-c2ccc(C[N@@H+](C)Cc3ccon3)cc2)o1 ZINC000097655559 567910786 /nfs/dbraw/zinc/91/07/86/567910786.db2.gz ZYXFRVRQWZYYCO-UHFFFAOYSA-N 1 2 282.343 3.875 50 0 CHAALO Cc1cc2[nH+]cn(Cc3ccccc3F)c2cc1C ZINC000000572542 567936531 /nfs/dbraw/zinc/93/65/31/567936531.db2.gz LCWFGWZEDKDOBL-UHFFFAOYSA-N 1 2 254.308 3.841 50 0 CHAALO C(=C\c1ccccc1)\C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000103377184 567942701 /nfs/dbraw/zinc/94/27/01/567942701.db2.gz RHHJQUZWRLMUGC-DAXSKMNVSA-N 1 2 294.398 3.649 50 0 CHAALO CCc1[nH+]c2ccccc2n1Cc1ccccc1OC ZINC000000550192 567942949 /nfs/dbraw/zinc/94/29/49/567942949.db2.gz NNTTVNGXVPOWDS-UHFFFAOYSA-N 1 2 266.344 3.656 50 0 CHAALO C[C@H](c1ccccn1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000214953823 567947117 /nfs/dbraw/zinc/94/71/17/567947117.db2.gz QKXQQGDUVHKWLA-GFCCVEGCSA-N 1 2 287.432 3.610 50 0 CHAALO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000214953823 567947118 /nfs/dbraw/zinc/94/71/18/567947118.db2.gz QKXQQGDUVHKWLA-GFCCVEGCSA-N 1 2 287.432 3.610 50 0 CHAALO S=C(CC1CCCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000025726213 570231281 /nfs/dbraw/zinc/23/12/81/570231281.db2.gz XIQHJEZLRXZRMB-UHFFFAOYSA-N 1 2 291.464 3.887 50 0 CHAALO S=C(CC1CCCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000025726213 570231288 /nfs/dbraw/zinc/23/12/88/570231288.db2.gz XIQHJEZLRXZRMB-UHFFFAOYSA-N 1 2 291.464 3.887 50 0 CHAALO CCCC[N@H+](Cc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000055119996 570241280 /nfs/dbraw/zinc/24/12/80/570241280.db2.gz NDEOSPPRXJWBCF-UHFFFAOYSA-N 1 2 283.375 3.958 50 0 CHAALO CCCC[N@@H+](Cc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000055119996 570241281 /nfs/dbraw/zinc/24/12/81/570241281.db2.gz NDEOSPPRXJWBCF-UHFFFAOYSA-N 1 2 283.375 3.958 50 0 CHAALO CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cn1 ZINC000215746867 570303817 /nfs/dbraw/zinc/30/38/17/570303817.db2.gz ZOKVIXRXNJZNOD-INIZCTEOSA-N 1 2 286.350 3.566 50 0 CHAALO CCOc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cn1 ZINC000215746867 570303819 /nfs/dbraw/zinc/30/38/19/570303819.db2.gz ZOKVIXRXNJZNOD-INIZCTEOSA-N 1 2 286.350 3.566 50 0 CHAALO C[C@H](c1ccon1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215766114 570303854 /nfs/dbraw/zinc/30/38/54/570303854.db2.gz PALXGRPHTDTEDN-GFCCVEGCSA-N 1 2 286.375 3.581 50 0 CHAALO C[C@H](c1ccon1)[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215766114 570303855 /nfs/dbraw/zinc/30/38/55/570303855.db2.gz PALXGRPHTDTEDN-GFCCVEGCSA-N 1 2 286.375 3.581 50 0 CHAALO c1csc([C@H]2CC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000244852606 570320716 /nfs/dbraw/zinc/32/07/16/570320716.db2.gz UVPRQBFGILHCIS-CYBMUJFWSA-N 1 2 297.383 3.745 50 0 CHAALO c1csc([C@H]2CC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000244852606 570320717 /nfs/dbraw/zinc/32/07/17/570320717.db2.gz UVPRQBFGILHCIS-CYBMUJFWSA-N 1 2 297.383 3.745 50 0 CHAALO c1c(CNc2nc3ccccc3s2)[nH+]c2ccccn12 ZINC000025371076 570323947 /nfs/dbraw/zinc/32/39/47/570323947.db2.gz YAFPBCVOAYPZLH-UHFFFAOYSA-N 1 2 280.356 3.556 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037128919 570362891 /nfs/dbraw/zinc/36/28/91/570362891.db2.gz LCGQRBWRJVEKIL-OAHLLOKOSA-N 1 2 275.421 3.801 50 0 CHAALO Cc1nc(C[NH+]2CCC(=Cc3ccccc3)CC2)oc1C ZINC000098018758 570383151 /nfs/dbraw/zinc/38/31/51/570383151.db2.gz LWQVLFHQBPIWSX-UHFFFAOYSA-N 1 2 282.387 3.971 50 0 CHAALO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)n1 ZINC000065591534 1126856642 /nfs/dbraw/zinc/85/66/42/1126856642.db2.gz ASHVLFIKZGQBJS-JTQLQIEISA-N 1 2 279.771 3.697 50 0 CHAALO C[N@H+](Cc1nc(CC2CC2)no1)[C@H]1CCCc2ccccc21 ZINC000015078773 1121634040 /nfs/dbraw/zinc/63/40/40/1121634040.db2.gz CUHCJKSBUYGAGY-INIZCTEOSA-N 1 2 297.402 3.532 50 0 CHAALO C[N@@H+](Cc1nc(CC2CC2)no1)[C@H]1CCCc2ccccc21 ZINC000015078773 1121634045 /nfs/dbraw/zinc/63/40/45/1121634045.db2.gz CUHCJKSBUYGAGY-INIZCTEOSA-N 1 2 297.402 3.532 50 0 CHAALO CN(C)c1ccc(C=[NH+]Nc2ccccc2Cl)cc1 ZINC000254501886 1129699484 /nfs/dbraw/zinc/69/94/84/1129699484.db2.gz XWHQHIMQWIFIMS-UHFFFAOYSA-N 1 2 273.767 3.852 50 0 CHAALO Clc1ccsc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000284364858 1129848046 /nfs/dbraw/zinc/84/80/46/1129848046.db2.gz KVZGKBYPCDEGII-UHFFFAOYSA-N 1 2 278.808 3.961 50 0 CHAALO Clc1ccsc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000284364858 1129848053 /nfs/dbraw/zinc/84/80/53/1129848053.db2.gz KVZGKBYPCDEGII-UHFFFAOYSA-N 1 2 278.808 3.961 50 0 CHAALO Cc1[nH+]c(CN[C@H](c2ccco2)c2ccccc2)n(C)c1C ZINC000952985256 1132019034 /nfs/dbraw/zinc/01/90/34/1132019034.db2.gz 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/nfs/dbraw/zinc/20/74/65/186207465.db2.gz HTCQZYJMNAHINT-ZYHUDNBSSA-N 1 2 288.366 3.938 50 0 CHAALO Cc1nc(C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@H]2C)oc1C ZINC000108155491 186207468 /nfs/dbraw/zinc/20/74/68/186207468.db2.gz HTCQZYJMNAHINT-ZYHUDNBSSA-N 1 2 288.366 3.938 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1ccccc1F ZINC000006752532 170240790 /nfs/dbraw/zinc/24/07/90/170240790.db2.gz ZIZPXTURHCLJNG-UHFFFAOYSA-N 1 2 269.323 3.807 50 0 CHAALO c1csc(-c2nc3ccccc3c(-n3cc[nH+]c3)n2)c1 ZINC000007738691 170299850 /nfs/dbraw/zinc/29/98/50/170299850.db2.gz LWHBDAYQBMLVFJ-UHFFFAOYSA-N 1 2 278.340 3.544 50 0 CHAALO Cc1c2ccccc2oc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000008161084 170321816 /nfs/dbraw/zinc/32/18/16/170321816.db2.gz IXEOKAQSKIJZDX-UHFFFAOYSA-N 1 2 266.300 3.697 50 0 CHAALO CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040051160 174185133 /nfs/dbraw/zinc/18/51/33/174185133.db2.gz MSDUKUDZOVVKBB-LLVKDONJSA-N 1 2 291.420 3.766 50 0 CHAALO CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040051160 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Cc1nc(C2([NH2+]Cc3ccc(C)c(Cl)c3)CCC2)no1 ZINC000195440402 567070127 /nfs/dbraw/zinc/07/01/27/567070127.db2.gz FYYCHEBKKAJMFH-UHFFFAOYSA-N 1 2 291.782 3.509 50 0 CHAALO c1cc2c(s1)SCc1ccccc1[C@@H]2c1c[nH]c[nH+]1 ZINC000138105562 567092473 /nfs/dbraw/zinc/09/24/73/567092473.db2.gz MZOISKJAKIFWPQ-KGLIPLIRSA-N 1 2 284.409 3.967 50 0 CHAALO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000095409651 567129874 /nfs/dbraw/zinc/12/98/74/567129874.db2.gz WCZIPNVKQJDOBV-LLVKDONJSA-N 1 2 297.358 3.797 50 0 CHAALO CN(Cc1ccccc1)c1ccccc1NCc1[nH]cc[nH+]1 ZINC000095448755 567134648 /nfs/dbraw/zinc/13/46/48/567134648.db2.gz FPNZIZYWQYLSEX-UHFFFAOYSA-N 1 2 292.386 3.658 50 0 CHAALO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1ccc(Cl)s1 ZINC000003306946 567167500 /nfs/dbraw/zinc/16/75/00/567167500.db2.gz YEXVPVSIPDASRF-SNVBAGLBSA-N 1 2 271.813 3.849 50 0 CHAALO CC[C@@H]1CCCC[N@H+]1CC(=O)c1ccc(Cl)s1 ZINC000003306946 567167507 /nfs/dbraw/zinc/16/75/07/567167507.db2.gz YEXVPVSIPDASRF-SNVBAGLBSA-N 1 2 271.813 3.849 50 0 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/nfs/dbraw/zinc/35/56/87/570355687.db2.gz KYQMMINWAAEJEJ-UHFFFAOYSA-N 1 2 294.373 3.817 50 0 CHAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2Cc2ccccc2)C1 ZINC000075567423 570355690 /nfs/dbraw/zinc/35/56/90/570355690.db2.gz KYQMMINWAAEJEJ-UHFFFAOYSA-N 1 2 294.373 3.817 50 0 CHAALO Cc1cc(C[N@H+](C)Cc2cc3c(cccc3O)s2)no1 ZINC000585136835 1120533801 /nfs/dbraw/zinc/53/38/01/1120533801.db2.gz VDDFWONPZDURRS-UHFFFAOYSA-N 1 2 288.372 3.535 50 0 CHAALO Cc1cc(C[N@@H+](C)Cc2cc3c(cccc3O)s2)no1 ZINC000585136835 1120533804 /nfs/dbraw/zinc/53/38/04/1120533804.db2.gz VDDFWONPZDURRS-UHFFFAOYSA-N 1 2 288.372 3.535 50 0 CHAALO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052075236 1121644249 /nfs/dbraw/zinc/64/42/49/1121644249.db2.gz YTDHHXAFSRQOMF-JTQLQIEISA-N 1 2 280.318 3.763 50 0 CHAALO Cc1noc(C)c1C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000052075236 1121644252 /nfs/dbraw/zinc/64/42/52/1121644252.db2.gz YTDHHXAFSRQOMF-JTQLQIEISA-N 1 2 280.318 3.763 50 0 CHAALO CO[C@@H](C)c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000426538660 1122817094 /nfs/dbraw/zinc/81/70/94/1122817094.db2.gz UZZQAQUFOXVEEV-AWEZNQCLSA-N 1 2 293.370 3.701 50 0 CHAALO C[C@@H]1CCC[N@H+](Cn2nc(C3CC3)sc2=S)CC1 ZINC000074719737 1124016537 /nfs/dbraw/zinc/01/65/37/1124016537.db2.gz FNHSFXUXHVWSHU-SNVBAGLBSA-N 1 2 283.466 3.631 50 0 CHAALO C[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)sc2=S)CC1 ZINC000074719737 1124016543 /nfs/dbraw/zinc/01/65/43/1124016543.db2.gz FNHSFXUXHVWSHU-SNVBAGLBSA-N 1 2 283.466 3.631 50 0 CHAALO C[C@H](c1cccnc1)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000095977292 185051929 /nfs/dbraw/zinc/05/19/29/185051929.db2.gz XCRLVWZOXUMFIH-CQSZACIVSA-N 1 2 293.370 3.930 50 0 CHAALO C[C@H](c1cccnc1)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000095977292 185051930 /nfs/dbraw/zinc/05/19/30/185051930.db2.gz XCRLVWZOXUMFIH-CQSZACIVSA-N 1 2 293.370 3.930 50 0 CHAALO CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2[nH]cc(C)[nH+]2)C1 ZINC000091966008 180294261 /nfs/dbraw/zinc/29/42/61/180294261.db2.gz RQPIOCUGKMKFBF-QGZVFWFLSA-N 1 2 289.423 3.593 50 0 CHAALO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cscn1 ZINC000182693289 189331264 /nfs/dbraw/zinc/33/12/64/189331264.db2.gz PRHMGYIIOQVZFP-CYBMUJFWSA-N 1 2 294.807 3.800 50 0 CHAALO Cc1ccsc1CNc1[nH+]c2ccccc2n1C ZINC000004741747 170008789 /nfs/dbraw/zinc/00/87/89/170008789.db2.gz NSNZHZASFIPREF-UHFFFAOYSA-N 1 2 257.362 3.555 50 0 CHAALO COc1cc2c(cc1OC)C(CCc1ccccc1)=[NH+]CC2 ZINC000004956068 170045176 /nfs/dbraw/zinc/04/51/76/170045176.db2.gz OVLGDRCDLSLUAP-UHFFFAOYSA-N 1 2 295.382 3.682 50 0 biogenic CHAALO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc(F)cc1 ZINC000005208360 170076099 /nfs/dbraw/zinc/07/60/99/170076099.db2.gz GWKXMQKYOXZVKS-UHFFFAOYSA-N 1 2 297.333 3.513 50 0 CHAALO C[C@@H]1Cc2ccccc2N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000007738375 170299946 /nfs/dbraw/zinc/29/99/46/170299946.db2.gz ZARFRCIHTURGPR-OAHLLOKOSA-N 1 2 289.382 3.824 50 0 CHAALO Cc1ccc2[nH+]c(CNc3cccc(Cl)c3)cn2c1 ZINC000007998467 170313212 /nfs/dbraw/zinc/31/32/12/170313212.db2.gz ULEDPIXOGAZIMD-UHFFFAOYSA-N 1 2 271.751 3.908 50 0 CHAALO c1cc2c(ncnc2SCc2cn3ccccc3[nH+]2)s1 ZINC000009377881 170375154 /nfs/dbraw/zinc/37/51/54/170375154.db2.gz JGDDMDLZHHSHMI-UHFFFAOYSA-N 1 2 298.396 3.631 50 0 CHAALO Cc1cc2[nH+]cn(CN3CCc4ccccc4C3)c2cc1C ZINC000022308615 171384044 /nfs/dbraw/zinc/38/40/44/171384044.db2.gz QZYAWEQPJSAHCZ-UHFFFAOYSA-N 1 2 291.398 3.669 50 0 CHAALO Cc1noc(C)c1C[NH+](Cc1ccco1)Cc1ccco1 ZINC000040012117 174182594 /nfs/dbraw/zinc/18/25/94/174182594.db2.gz HIHWCNZMLHXRKJ-UHFFFAOYSA-N 1 2 286.331 3.680 50 0 CHAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000040549107 174326475 /nfs/dbraw/zinc/32/64/75/174326475.db2.gz VGPWZOALMNYLGL-KRWDZBQOSA-N 1 2 298.386 3.563 50 0 CHAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000040549107 174326477 /nfs/dbraw/zinc/32/64/77/174326477.db2.gz VGPWZOALMNYLGL-KRWDZBQOSA-N 1 2 298.386 3.563 50 0 CHAALO Cc1nnc([C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)o1 ZINC000040555323 174330374 /nfs/dbraw/zinc/33/03/74/174330374.db2.gz IRIHOOBDQWFUBJ-ZDUSSCGKSA-N 1 2 293.370 3.818 50 0 CHAALO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](CC2CC2)C1 ZINC000044124852 175143910 /nfs/dbraw/zinc/14/39/10/175143910.db2.gz PIYFGKXCUDCMSV-GOSISDBHSA-N 1 2 273.420 3.849 50 0 CHAALO CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](CC2CC2)C1 ZINC000044124852 175143911 /nfs/dbraw/zinc/14/39/11/175143911.db2.gz PIYFGKXCUDCMSV-GOSISDBHSA-N 1 2 273.420 3.849 50 0 CHAALO Clc1cccc(-c2[nH+]ccn2CCNc2cccnc2)c1 ZINC000077519389 177277667 /nfs/dbraw/zinc/27/76/67/177277667.db2.gz ANYGPPGBWHXPES-UHFFFAOYSA-N 1 2 298.777 3.711 50 0 CHAALO CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000152077394 328056975 /nfs/dbraw/zinc/05/69/75/328056975.db2.gz YQVKGYXKKJILHF-QGZVFWFLSA-N 1 2 299.418 3.924 50 0 CHAALO CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000152077394 328056976 /nfs/dbraw/zinc/05/69/76/328056976.db2.gz YQVKGYXKKJILHF-QGZVFWFLSA-N 1 2 299.418 3.924 50 0 CHAALO Clc1ccc(-c2csc(N[NH+]=C3CCCN3)n2)cc1 ZINC000005715792 326816617 /nfs/dbraw/zinc/81/66/17/326816617.db2.gz MVBHAZOTVBGQKC-UHFFFAOYSA-N 1 2 292.795 3.572 50 0 CHAALO C[C@@H](c1[nH+]ccn1CCNc1cccnc1)c1ccccc1 ZINC000072439524 327110856 /nfs/dbraw/zinc/11/08/56/327110856.db2.gz CMECNZOUANYXJD-OAHLLOKOSA-N 1 2 292.386 3.542 50 0 CHAALO CCCc1[nH]cc(-c2cc(Cl)ccc2OC)[nH+]1 ZINC000426673958 566992170 /nfs/dbraw/zinc/99/21/70/566992170.db2.gz ARUJYDGCSSOAJD-UHFFFAOYSA-N 1 2 250.729 3.691 50 0 CHAALO CC(C)C[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000253425147 567098362 /nfs/dbraw/zinc/09/83/62/567098362.db2.gz PVLXNFHTPSBHEF-CQSZACIVSA-N 1 2 286.375 3.523 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1ccccc1 ZINC000079484092 567121894 /nfs/dbraw/zinc/12/18/94/567121894.db2.gz PAMDRISNUQZYKT-UHFFFAOYSA-N 1 2 277.327 3.693 50 0 CHAALO Cc1nc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422171 567132431 /nfs/dbraw/zinc/13/24/31/567132431.db2.gz DXOAEFMLFRGKTR-MNOVXSKESA-N 1 2 278.425 3.641 50 0 CHAALO CCCOC(=O)[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000096026429 567137069 /nfs/dbraw/zinc/13/70/69/567137069.db2.gz KAGTVSRHEOYTFB-OAHLLOKOSA-N 1 2 295.810 3.820 50 0 CHAALO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1ccccc1Cl ZINC000003306532 567167687 /nfs/dbraw/zinc/16/76/87/567167687.db2.gz AZWYKQVSYKVSET-GFCCVEGCSA-N 1 2 265.784 3.787 50 0 CHAALO CC[C@@H]1CCCC[N@H+]1CC(=O)c1ccccc1Cl ZINC000003306532 567167692 /nfs/dbraw/zinc/16/76/92/567167692.db2.gz AZWYKQVSYKVSET-GFCCVEGCSA-N 1 2 265.784 3.787 50 0 CHAALO CCCCc1ccc(CN2CCc3[nH+]c(C)[nH]c3C2)cc1 ZINC000670465613 567194632 /nfs/dbraw/zinc/19/46/32/567194632.db2.gz ISESNTWEEWKQCP-UHFFFAOYSA-N 1 2 283.419 3.619 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)C=Cc3ccccc3)cc2[nH+]1 ZINC000042060532 567206210 /nfs/dbraw/zinc/20/62/10/567206210.db2.gz ZGHCAMSFUHJSFU-JXMROGBWSA-N 1 2 277.327 3.523 50 0 CHAALO COc1ccc(CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000073702 567817595 /nfs/dbraw/zinc/81/75/95/567817595.db2.gz IVCCYLMOMPQERQ-UHFFFAOYSA-N 1 2 266.344 3.747 50 0 CHAALO Cc1c2cc(Cl)ccc2sc1C(=O)Cn1cc[nH+]c1 ZINC000000172260 567821533 /nfs/dbraw/zinc/82/15/33/567821533.db2.gz SFAAELCKDQSNPV-UHFFFAOYSA-N 1 2 290.775 3.943 50 0 CHAALO CC(C)c1[nH+]cc([C@@H](O)c2ccc(C(C)C)cc2)n1C ZINC000000373006 567827815 /nfs/dbraw/zinc/82/78/15/567827815.db2.gz QIBIUBZZLZHBID-INIZCTEOSA-N 1 2 272.392 3.749 50 0 CHAALO Cc1ccc([C@@H](C)[NH2+]Cc2csc([C@H]3CCCO3)n2)o1 ZINC000097374073 567860175 /nfs/dbraw/zinc/86/01/75/567860175.db2.gz GIXBMROYNNZPTR-BXUZGUMPSA-N 1 2 292.404 3.747 50 0 CHAALO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)Cc2ccccc2O1 ZINC000012280675 567862784 /nfs/dbraw/zinc/86/27/84/567862784.db2.gz WAVLZDAFSJXNNV-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)Cc2ccccc2O1 ZINC000012280675 567862785 /nfs/dbraw/zinc/86/27/85/567862785.db2.gz WAVLZDAFSJXNNV-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO Cc1ccc2[nH+]c(-c3ccc(NC(=O)C(C)C)cc3)cn2c1 ZINC000024002960 567881849 /nfs/dbraw/zinc/88/18/49/567881849.db2.gz MXDAWCPOKMMNDH-UHFFFAOYSA-N 1 2 293.370 3.904 50 0 CHAALO Cc1cc(NC[C@H]2CCCO2)[nH+]c2cc(Cl)ccc12 ZINC000023634328 567882083 /nfs/dbraw/zinc/88/20/83/567882083.db2.gz LSPVRXNPKQWTFZ-GFCCVEGCSA-N 1 2 276.767 3.788 50 0 CHAALO Clc1cccc2sc(NCCCn3cc[nH+]c3)nc21 ZINC000034936042 567889067 /nfs/dbraw/zinc/88/90/67/567889067.db2.gz FOYVLCQQDIUGRX-UHFFFAOYSA-N 1 2 292.795 3.648 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000119170481 567890584 /nfs/dbraw/zinc/89/05/84/567890584.db2.gz QLXUPYMUHHQKJJ-UHFFFAOYSA-N 1 2 296.157 3.531 50 0 CHAALO Cc1[nH+]c(-c2ccccc2)nc(N2CCCCC2)c1C ZINC000058158972 567895260 /nfs/dbraw/zinc/89/52/60/567895260.db2.gz JWOPLDTVXADNCG-UHFFFAOYSA-N 1 2 267.376 3.751 50 0 CHAALO CCc1ccc(C[N@H+](Cc2nnc(C(C)C)o2)C2CC2)cc1 ZINC000060372812 567896640 /nfs/dbraw/zinc/89/66/40/567896640.db2.gz NCPWPTKGCPVPHM-UHFFFAOYSA-N 1 2 299.418 3.920 50 0 CHAALO CCc1ccc(C[N@@H+](Cc2nnc(C(C)C)o2)C2CC2)cc1 ZINC000060372812 567896642 /nfs/dbraw/zinc/89/66/42/567896642.db2.gz NCPWPTKGCPVPHM-UHFFFAOYSA-N 1 2 299.418 3.920 50 0 CHAALO CC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1C ZINC000060372794 567896927 /nfs/dbraw/zinc/89/69/27/567896927.db2.gz NFIPHKIDSRRZNV-UHFFFAOYSA-N 1 2 273.380 3.524 50 0 CHAALO CC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1C ZINC000060372794 567896928 /nfs/dbraw/zinc/89/69/28/567896928.db2.gz NFIPHKIDSRRZNV-UHFFFAOYSA-N 1 2 273.380 3.524 50 0 CHAALO Cc1oc(-c2cccc(Cl)c2)nc1Cn1cc[nH+]c1 ZINC000067541268 567900301 /nfs/dbraw/zinc/90/03/01/567900301.db2.gz UDYRBYQHHPKLJX-UHFFFAOYSA-N 1 2 273.723 3.548 50 0 CHAALO C[NH+](C)Cc1noc(-c2cccc(Oc3ccccc3)c2)n1 ZINC000067934088 567900895 /nfs/dbraw/zinc/90/08/95/567900895.db2.gz GEGYHNONJJGFTJ-UHFFFAOYSA-N 1 2 295.342 3.591 50 0 CHAALO COCCc1nc(C)c([C@@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000097231528 567906033 /nfs/dbraw/zinc/90/60/33/567906033.db2.gz NMHJOEHAGFRGPE-LLVKDONJSA-N 1 2 291.420 3.517 50 0 CHAALO CCO[C@H](C)c1ccc(-c2nc(NC)cc(C)[nH+]2)cc1 ZINC000097370382 567910374 /nfs/dbraw/zinc/91/03/74/567910374.db2.gz MGSVALTWZGRHRU-GFCCVEGCSA-N 1 2 271.364 3.591 50 0 CHAALO Nc1ccc(-c2[nH]c3cccc4cccc([nH+]2)c43)cc1 ZINC000000267420 567926037 /nfs/dbraw/zinc/92/60/37/567926037.db2.gz BFSIRHIRXMIVBW-UHFFFAOYSA-N 1 2 259.312 3.965 50 0 CHAALO Cc1nnc(Nc2ccc3c(c2)[nH+]cn3C)c2ccccc12 ZINC000000303212 567926525 /nfs/dbraw/zinc/92/65/25/567926525.db2.gz HWTATQYLAHBDFP-UHFFFAOYSA-N 1 2 289.342 3.569 50 0 CHAALO COc1ccc([C@@H]2C=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000100673214 567928398 /nfs/dbraw/zinc/92/83/98/567928398.db2.gz AALMRCUSSDYMBE-KRWDZBQOSA-N 1 2 291.354 3.964 50 0 CHAALO CC(C)c1[nH]c2ccc(NC(=O)[C@H](C)n3cccc3)cc2[nH+]1 ZINC000409413064 567935674 /nfs/dbraw/zinc/93/56/74/567935674.db2.gz AXZJVXUHWYUDLI-LBPRGKRZSA-N 1 2 296.374 3.688 50 0 CHAALO C/C=C/C(=O)Nc1ccccc1-c1cn2cccc(C)c2[nH+]1 ZINC000206900801 567938877 /nfs/dbraw/zinc/93/88/77/567938877.db2.gz QPXRZKPRLDFELP-XVNBXDOJSA-N 1 2 291.354 3.824 50 0 CHAALO COc1ccccc1C[NH2+]Cc1c(F)cccc1Cl ZINC000013720316 567942079 /nfs/dbraw/zinc/94/20/79/567942079.db2.gz DRGAXSRGQQSFNY-UHFFFAOYSA-N 1 2 279.742 3.778 50 0 CHAALO c1cn(-c2ccc(Oc3nc4ccccc4o3)cc2)c[nH+]1 ZINC000048301278 567946422 /nfs/dbraw/zinc/94/64/22/567946422.db2.gz NLIAKVUQAMRVCF-UHFFFAOYSA-N 1 2 277.283 3.806 50 0 CHAALO CC(=O)c1cc(C[N@H+](Cc2ccccn2)C2CC2)cs1 ZINC000215575400 567947201 /nfs/dbraw/zinc/94/72/01/567947201.db2.gz CRZXWOQTFYFNFA-UHFFFAOYSA-N 1 2 286.400 3.510 50 0 CHAALO CC(=O)c1cc(C[N@@H+](Cc2ccccn2)C2CC2)cs1 ZINC000215575400 567947202 /nfs/dbraw/zinc/94/72/02/567947202.db2.gz CRZXWOQTFYFNFA-UHFFFAOYSA-N 1 2 286.400 3.510 50 0 CHAALO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)[nH]n1 ZINC000215637803 567947231 /nfs/dbraw/zinc/94/72/31/567947231.db2.gz LOZHGNULRUMLQD-OAHLLOKOSA-N 1 2 287.382 3.793 50 0 CHAALO CC(C)(C)c1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)[nH]n1 ZINC000215637803 567947233 /nfs/dbraw/zinc/94/72/33/567947233.db2.gz LOZHGNULRUMLQD-OAHLLOKOSA-N 1 2 287.382 3.793 50 0 CHAALO CSc1ccccc1C[N@H+](C)[C@@H](C)c1ccon1 ZINC000215877890 567947304 /nfs/dbraw/zinc/94/73/04/567947304.db2.gz IFLRVSFCMDVDEE-NSHDSACASA-N 1 2 262.378 3.590 50 0 CHAALO CSc1ccccc1C[N@@H+](C)[C@@H](C)c1ccon1 ZINC000215877890 567947305 /nfs/dbraw/zinc/94/73/05/567947305.db2.gz IFLRVSFCMDVDEE-NSHDSACASA-N 1 2 262.378 3.590 50 0 CHAALO CSc1ccc(CNc2[nH]c(C(F)(F)F)c[nH+]2)cc1 ZINC000225429630 567953404 /nfs/dbraw/zinc/95/34/04/567953404.db2.gz AORZQHQCNPACJU-UHFFFAOYSA-N 1 2 287.310 3.763 50 0 CHAALO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccccc1Cl ZINC000032755606 570221885 /nfs/dbraw/zinc/22/18/85/570221885.db2.gz NHJYIQBPWWDZQE-JTQLQIEISA-N 1 2 293.798 3.871 50 0 CHAALO CC(C)CC[C@H](c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000055283927 570242220 /nfs/dbraw/zinc/24/22/20/570242220.db2.gz WAJVMMQWOOFDLG-QGZVFWFLSA-N 1 2 299.418 3.588 50 0 CHAALO CC[C@H](C)c1ccc(-c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000426429099 570257963 /nfs/dbraw/zinc/25/79/63/570257963.db2.gz TUJZTQJVLFTQRH-ZDUSSCGKSA-N 1 2 278.359 3.843 50 0 CHAALO C[C@@H](NC(=O)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048114 570282707 /nfs/dbraw/zinc/28/27/07/570282707.db2.gz VZHXCKFCTUSSNF-CQSZACIVSA-N 1 2 297.402 3.630 50 0 CHAALO CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000215746825 570303842 /nfs/dbraw/zinc/30/38/42/570303842.db2.gz ZOKVIXRXNJZNOD-MRXNPFEDSA-N 1 2 286.350 3.566 50 0 CHAALO CCOc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000215746825 570303843 /nfs/dbraw/zinc/30/38/43/570303843.db2.gz ZOKVIXRXNJZNOD-MRXNPFEDSA-N 1 2 286.350 3.566 50 0 CHAALO CCc1cnc(C[N@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000075622312 570356311 /nfs/dbraw/zinc/35/63/11/570356311.db2.gz QRRYESKJHXOOEN-UHFFFAOYSA-N 1 2 268.360 3.526 50 0 CHAALO CCc1cnc(C[N@@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000075622312 570356315 /nfs/dbraw/zinc/35/63/15/570356315.db2.gz QRRYESKJHXOOEN-UHFFFAOYSA-N 1 2 268.360 3.526 50 0 CHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)c1ccccc1 ZINC000012525332 570395166 /nfs/dbraw/zinc/39/51/66/570395166.db2.gz KTGZWALDWWHUDM-KRWDZBQOSA-N 1 2 280.371 3.722 50 0 CHAALO Clc1ccsc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000194371042 570405353 /nfs/dbraw/zinc/40/53/53/570405353.db2.gz PXWYGYXZBMHYSL-UHFFFAOYSA-N 1 2 281.812 3.504 50 0 CHAALO 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/nfs/dbraw/zinc/27/20/30/176272030.db2.gz AOWJRBPQMGVSCY-MRXNPFEDSA-N 1 2 295.386 3.599 50 0 CHAALO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C)sc2C)o1 ZINC000072125458 176320458 /nfs/dbraw/zinc/32/04/58/176320458.db2.gz WBEKWUSWDYPGPQ-JTQLQIEISA-N 1 2 264.394 3.854 50 0 CHAALO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(C)sc2C)o1 ZINC000072125458 176320460 /nfs/dbraw/zinc/32/04/60/176320460.db2.gz WBEKWUSWDYPGPQ-JTQLQIEISA-N 1 2 264.394 3.854 50 0 CHAALO CC[N@H+](Cc1ccccn1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000096486771 528849987 /nfs/dbraw/zinc/84/99/87/528849987.db2.gz REBLASZHHJTRLC-CYBMUJFWSA-N 1 2 287.407 3.950 50 0 CHAALO CC[N@@H+](Cc1ccccn1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000096486771 528849993 /nfs/dbraw/zinc/84/99/93/528849993.db2.gz REBLASZHHJTRLC-CYBMUJFWSA-N 1 2 287.407 3.950 50 0 CHAALO c1cn(Cc2nc3ccccc3c(-c3ccccc3)n2)c[nH+]1 ZINC000029967728 566865828 /nfs/dbraw/zinc/86/58/28/566865828.db2.gz JWWSQYXWDXWLJC-UHFFFAOYSA-N 1 2 286.338 3.542 50 0 CHAALO c1c(CNc2cc[nH+]c3ccncc23)sc2c1CCC2 ZINC000085659186 566899175 /nfs/dbraw/zinc/89/91/75/566899175.db2.gz AUNOJBXWQRENQK-UHFFFAOYSA-N 1 2 281.384 3.792 50 0 CHAALO CCc1cccc(CC)c1NC(=O)Oc1cc[nH+]cc1 ZINC000000399209 566909997 /nfs/dbraw/zinc/90/99/97/566909997.db2.gz SSZSVZBPVILWRI-UHFFFAOYSA-N 1 2 270.332 3.817 50 0 CHAALO C[N@H+](Cc1cncs1)Cc1ccc(F)cc1Cl ZINC000093275965 567120793 /nfs/dbraw/zinc/12/07/93/567120793.db2.gz GCPCCTOBRWJNQL-UHFFFAOYSA-N 1 2 270.760 3.568 50 0 CHAALO C[N@@H+](Cc1cncs1)Cc1ccc(F)cc1Cl ZINC000093275965 567120800 /nfs/dbraw/zinc/12/08/00/567120800.db2.gz GCPCCTOBRWJNQL-UHFFFAOYSA-N 1 2 270.760 3.568 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1cccc(F)c1 ZINC000079501960 567123331 /nfs/dbraw/zinc/12/33/31/567123331.db2.gz YKRGQMRZKOZQIO-UHFFFAOYSA-N 1 2 295.317 3.832 50 0 CHAALO CC[C@H]1CCCC[N@@H+]1CC(=O)c1ccccc1Cl ZINC000003306531 567168557 /nfs/dbraw/zinc/16/85/57/567168557.db2.gz AZWYKQVSYKVSET-LBPRGKRZSA-N 1 2 265.784 3.787 50 0 CHAALO CC[C@H]1CCCC[N@H+]1CC(=O)c1ccccc1Cl ZINC000003306531 567168562 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567889120 /nfs/dbraw/zinc/88/91/20/567889120.db2.gz QQDXGEMPVMCBOD-UHFFFAOYSA-N 1 2 280.346 3.865 50 0 CHAALO Fc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccccc1)CC3 ZINC000034896680 567889121 /nfs/dbraw/zinc/88/91/21/567889121.db2.gz QQDXGEMPVMCBOD-UHFFFAOYSA-N 1 2 280.346 3.865 50 0 CHAALO Fc1cc(Br)ccc1C[NH+]1CCCCC1 ZINC000042211164 567891433 /nfs/dbraw/zinc/89/14/33/567891433.db2.gz VMTBRQBFFSSMLS-UHFFFAOYSA-N 1 2 272.161 3.574 50 0 CHAALO Cc1cc2[nH+]cn(CN(C)Cc3ccccc3F)c2cc1C ZINC000058160817 567895646 /nfs/dbraw/zinc/89/56/46/567895646.db2.gz RDVVCXBLIDYVEH-UHFFFAOYSA-N 1 2 297.377 3.882 50 0 CHAALO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000058407699 567896016 /nfs/dbraw/zinc/89/60/16/567896016.db2.gz XFGFPZMWGGVEHF-CYBMUJFWSA-N 1 2 273.380 3.637 50 0 CHAALO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000058407699 567896019 /nfs/dbraw/zinc/89/60/19/567896019.db2.gz XFGFPZMWGGVEHF-CYBMUJFWSA-N 1 2 273.380 3.637 50 0 CHAALO Brc1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000064034452 567897639 /nfs/dbraw/zinc/89/76/39/567897639.db2.gz PXCBVDGJELFHKH-UHFFFAOYSA-N 1 2 288.188 3.965 50 0 CHAALO Brc1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000064034452 567897641 /nfs/dbraw/zinc/89/76/41/567897641.db2.gz PXCBVDGJELFHKH-UHFFFAOYSA-N 1 2 288.188 3.965 50 0 CHAALO CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1CCNC(C)=O ZINC000065396439 567899108 /nfs/dbraw/zinc/89/91/08/567899108.db2.gz XXOMYMNKUJHGEV-CQSZACIVSA-N 1 2 299.418 3.590 50 0 CHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cs1 ZINC000065404675 567899341 /nfs/dbraw/zinc/89/93/41/567899341.db2.gz CNPGIGISNUTMOQ-OAHLLOKOSA-N 1 2 286.400 3.683 50 0 CHAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)cs1 ZINC000065404675 567899342 /nfs/dbraw/zinc/89/93/42/567899342.db2.gz CNPGIGISNUTMOQ-OAHLLOKOSA-N 1 2 286.400 3.683 50 0 CHAALO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000097111323 567904519 /nfs/dbraw/zinc/90/45/19/567904519.db2.gz LAMSYKPRLCFTTC-CYBMUJFWSA-N 1 2 298.390 3.531 50 0 CHAALO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)o1 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CCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000000814085 567948166 /nfs/dbraw/zinc/94/81/66/567948166.db2.gz ZOTZRLNEVGRAFM-UHFFFAOYSA-N 1 2 251.333 3.668 50 0 CHAALO CC(C)N(C)c1ccc(CNc2noc3ccccc32)c[nH+]1 ZINC000225515938 567953565 /nfs/dbraw/zinc/95/35/65/567953565.db2.gz HNTKDAPWIKNWAB-UHFFFAOYSA-N 1 2 296.374 3.680 50 0 CHAALO CCCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000001891281 570326453 /nfs/dbraw/zinc/32/64/53/570326453.db2.gz YXZCVUVAAOXPHP-UHFFFAOYSA-N 1 2 284.388 3.708 50 0 CHAALO CC(C)(C)c1ccc(OC/C=C/Cn2cc[nH+]c2)cc1 ZINC000012381713 570338856 /nfs/dbraw/zinc/33/88/56/570338856.db2.gz RIIDRVWMCQMALS-SNAWJCMRSA-N 1 2 270.376 3.816 50 0 CHAALO CCc1[nH+]c2ccccc2n1Cc1ccc(C)cc1 ZINC000001473041 570339758 /nfs/dbraw/zinc/33/97/58/570339758.db2.gz CMMMDJSMZHWEII-UHFFFAOYSA-N 1 2 250.345 3.955 50 0 CHAALO CCc1ncc(CNc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000089296029 570355823 /nfs/dbraw/zinc/35/58/23/570355823.db2.gz OQZPTQSXRVRGTD-UHFFFAOYSA-N 1 2 284.388 3.503 50 0 CHAALO 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CC(C)n1ccnc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000095986040 185056037 /nfs/dbraw/zinc/05/60/37/185056037.db2.gz WTPLIHJKESJIQS-NSHDSACASA-N 1 2 279.334 3.593 50 0 CHAALO CCn1cc[nH+]c1CNc1ncc(-c2ccccc2)s1 ZINC000095990268 185057205 /nfs/dbraw/zinc/05/72/05/185057205.db2.gz YVRGDHTWDIMFPE-UHFFFAOYSA-N 1 2 284.388 3.639 50 0 CHAALO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=[NH2+])O1 ZINC000004829982 170025519 /nfs/dbraw/zinc/02/55/19/170025519.db2.gz LALCASFRVNYUKT-CYBMUJFWSA-N 1 2 251.329 3.759 50 0 CHAALO CCC(=O)c1ccc2cccc3[nH+]c(CC)[nH]c1c23 ZINC000005686839 170128750 /nfs/dbraw/zinc/12/87/50/170128750.db2.gz XXSLNVUBFLPXLA-UHFFFAOYSA-N 1 2 252.317 3.871 50 0 CHAALO Cc1ccc(C(C)(C)C)c(OCCn2cc[nH+]c2)c1 ZINC000006478588 170204158 /nfs/dbraw/zinc/20/41/58/170204158.db2.gz SRFNHVLTBSUXKY-UHFFFAOYSA-N 1 2 258.365 3.568 50 0 CHAALO CC1CC[NH+](Cc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000020413090 171183084 /nfs/dbraw/zinc/18/30/84/171183084.db2.gz PWNTVHKRVRCOSH-UHFFFAOYSA-N 1 2 274.191 3.931 50 0 CHAALO CSc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000065529955 175747678 /nfs/dbraw/zinc/74/76/78/175747678.db2.gz KBJDNSROGWWJBC-ZDUSSCGKSA-N 1 2 272.417 3.787 50 0 CHAALO CSc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000065529955 175747680 /nfs/dbraw/zinc/74/76/80/175747680.db2.gz KBJDNSROGWWJBC-ZDUSSCGKSA-N 1 2 272.417 3.787 50 0 CHAALO Cc1nnc(C[N@@H+]2CCCC[C@H]2c2cccc(F)c2)s1 ZINC000072145825 176325225 /nfs/dbraw/zinc/32/52/25/176325225.db2.gz XYPHZLDRFSDKFW-AWEZNQCLSA-N 1 2 291.395 3.713 50 0 CHAALO Cc1nnc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)s1 ZINC000072145825 176325226 /nfs/dbraw/zinc/32/52/26/176325226.db2.gz XYPHZLDRFSDKFW-AWEZNQCLSA-N 1 2 291.395 3.713 50 0 CHAALO Cc1cc2[nH+]cn(C[C@@H](O)c3ccccc3F)c2cc1C ZINC000028913497 262372482 /nfs/dbraw/zinc/37/24/82/262372482.db2.gz SQIBFAFTIQURDQ-QGZVFWFLSA-N 1 2 284.334 3.526 50 0 CHAALO c1cc(-c2ccc(-n3cc[nH+]c3)cc2)n(-c2ccccc2)n1 ZINC000001402343 566873474 /nfs/dbraw/zinc/87/34/74/566873474.db2.gz VVJPCOSBIAVTQG-UHFFFAOYSA-N 1 2 286.338 3.725 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)C1CCCCC1 ZINC000079497412 566891067 /nfs/dbraw/zinc/89/10/67/566891067.db2.gz FHHYNPIBTYECEZ-UHFFFAOYSA-N 1 2 283.375 3.959 50 0 CHAALO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)CC1CCC1 ZINC000170624892 567016198 /nfs/dbraw/zinc/01/61/98/567016198.db2.gz BBSWBTYZVHARAY-UHFFFAOYSA-N 1 2 298.386 3.648 50 0 CHAALO Clc1ccc([C@H]2CC[N@@H+]2Cc2cncs2)cc1 ZINC000093686011 567037102 /nfs/dbraw/zinc/03/71/02/567037102.db2.gz UNLZMDQOXGXYQX-CYBMUJFWSA-N 1 2 264.781 3.744 50 0 CHAALO Clc1ccc([C@H]2CC[N@H+]2Cc2cncs2)cc1 ZINC000093686011 567037106 /nfs/dbraw/zinc/03/71/06/567037106.db2.gz UNLZMDQOXGXYQX-CYBMUJFWSA-N 1 2 264.781 3.744 50 0 CHAALO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2scnc2C)o1 ZINC000093819140 567122010 /nfs/dbraw/zinc/12/20/10/567122010.db2.gz QHYASDZNXZEGFO-LBPRGKRZSA-N 1 2 294.445 3.643 50 0 CHAALO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2scnc2C)o1 ZINC000093819140 567122014 /nfs/dbraw/zinc/12/20/14/567122014.db2.gz QHYASDZNXZEGFO-LBPRGKRZSA-N 1 2 294.445 3.643 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000037898540 567136441 /nfs/dbraw/zinc/13/64/41/567136441.db2.gz YRIKOKYLMYMRBP-SECBINFHSA-N 1 2 283.297 3.588 50 0 CHAALO Cc1c[nH+]cc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000097038333 567142641 /nfs/dbraw/zinc/14/26/41/567142641.db2.gz JDJBXAZATQUNMU-CYBMUJFWSA-N 1 2 297.358 3.520 50 0 CHAALO Cc1c/c(=[NH+]/c2cccc(Cl)c2)n2ccsc2n1 ZINC000010386615 567204733 /nfs/dbraw/zinc/20/47/33/567204733.db2.gz LHEAWWIDLXRKCR-VBKFSLOCSA-N 1 2 275.764 3.590 50 0 CHAALO C[C@@H]1CCc2[nH+]c3sc4c(c3c(N)c2C1)CCCC4 ZINC000000099888 567818320 /nfs/dbraw/zinc/81/83/20/567818320.db2.gz ASNZHKJGGYRNAY-SECBINFHSA-N 1 2 272.417 3.882 50 0 aggregator CHAALO Cc1[nH]c2ccccc2c1Cc1[nH]c2ccccc2[nH+]1 ZINC000000118530 567818802 /nfs/dbraw/zinc/81/88/02/567818802.db2.gz BBGKKWJDHOAKFM-UHFFFAOYSA-N 1 2 261.328 3.943 50 0 CHAALO C[C@@H]1C[NH+]=C(Nc2cccc(C(F)(F)F)c2)S1 ZINC000000134998 567819706 /nfs/dbraw/zinc/81/97/06/567819706.db2.gz DCKNPUPMYYQONS-SSDOTTSWSA-N 1 2 260.284 3.609 50 0 CHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccco1 ZINC000014910391 567869864 /nfs/dbraw/zinc/86/98/64/567869864.db2.gz LAYGBGRTLHSHJE-UHFFFAOYSA-N 1 2 295.342 3.608 50 0 CHAALO c1csc(-c2cc(C[N@@H+]3CCc4ccccc4C3)no2)c1 ZINC000016332797 567872474 /nfs/dbraw/zinc/87/24/74/567872474.db2.gz RVFYTLJKASLMPT-UHFFFAOYSA-N 1 2 296.395 3.961 50 0 CHAALO c1csc(-c2cc(C[N@H+]3CCc4ccccc4C3)no2)c1 ZINC000016332797 567872476 /nfs/dbraw/zinc/87/24/76/567872476.db2.gz RVFYTLJKASLMPT-UHFFFAOYSA-N 1 2 296.395 3.961 50 0 CHAALO Nc1ccc(-c2cccc(OCc3ccccc3)c2)c[nH+]1 ZINC000016948024 567874191 /nfs/dbraw/zinc/87/41/91/567874191.db2.gz MKPMZJBTPNAXJY-UHFFFAOYSA-N 1 2 276.339 3.910 50 0 CHAALO Nc1ccc(Oc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000019869115 567879572 /nfs/dbraw/zinc/87/95/72/567879572.db2.gz HKGLDMWQGVTZEY-UHFFFAOYSA-N 1 2 255.104 3.763 50 0 CHAALO Cc1sc2ncnc(Nc3ccc(N(C)C)[nH+]c3)c2c1C ZINC000023618955 567881837 /nfs/dbraw/zinc/88/18/37/567881837.db2.gz ZGMUSGZFUJSJGC-UHFFFAOYSA-N 1 2 299.403 3.513 50 0 CHAALO C[C@H]1CC[N@H+](Cc2cscn2)[C@H](c2ccco2)C1 ZINC000076090245 567895399 /nfs/dbraw/zinc/89/53/99/567895399.db2.gz VJKUZCRYJDKHIE-AAEUAGOBSA-N 1 2 262.378 3.709 50 0 CHAALO C[C@H]1CC[N@@H+](Cc2cscn2)[C@H](c2ccco2)C1 ZINC000076090245 567895400 /nfs/dbraw/zinc/89/54/00/567895400.db2.gz VJKUZCRYJDKHIE-AAEUAGOBSA-N 1 2 262.378 3.709 50 0 CHAALO CCc1noc(C[N@H+](Cc2cccc(Cl)c2)C(C)C)n1 ZINC000059038131 567896346 /nfs/dbraw/zinc/89/63/46/567896346.db2.gz OVBRHWNDLSTKMW-UHFFFAOYSA-N 1 2 293.798 3.696 50 0 CHAALO CCc1noc(C[N@@H+](Cc2cccc(Cl)c2)C(C)C)n1 ZINC000059038131 567896347 /nfs/dbraw/zinc/89/63/47/567896347.db2.gz OVBRHWNDLSTKMW-UHFFFAOYSA-N 1 2 293.798 3.696 50 0 CHAALO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000064666924 567897910 /nfs/dbraw/zinc/89/79/10/567897910.db2.gz BBNQPNYPCTUXMJ-HNNXBMFYSA-N 1 2 292.329 3.852 50 0 CHAALO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000064666924 567897911 /nfs/dbraw/zinc/89/79/11/567897911.db2.gz BBNQPNYPCTUXMJ-HNNXBMFYSA-N 1 2 292.329 3.852 50 0 CHAALO CC(C)C[C@@H](CO)n1cc[nH+]c1-c1ccccc1Cl ZINC000067847585 567900600 /nfs/dbraw/zinc/90/06/00/567900600.db2.gz ZZRAMYLORREXKZ-LBPRGKRZSA-N 1 2 278.783 3.783 50 0 CHAALO C[C@H](c1ccccn1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000097113658 567904351 /nfs/dbraw/zinc/90/43/51/567904351.db2.gz NTACCRDVXRNVNI-LLVKDONJSA-N 1 2 295.308 3.688 50 0 CHAALO C[C@H](c1ccccn1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000097113658 567904353 /nfs/dbraw/zinc/90/43/53/567904353.db2.gz NTACCRDVXRNVNI-LLVKDONJSA-N 1 2 295.308 3.688 50 0 CHAALO Clc1ccc(C2CC[NH+](Cc3csnn3)CC2)cc1 ZINC000187609154 567907273 /nfs/dbraw/zinc/90/72/73/567907273.db2.gz WNSNEQFNMZSTLI-UHFFFAOYSA-N 1 2 293.823 3.571 50 0 CHAALO Cc1nc(Nc2cccc(Cl)c2)c2c([nH+]1)CCC2 ZINC000012016506 567929055 /nfs/dbraw/zinc/92/90/55/567929055.db2.gz HDLWNTXIYWXZGB-UHFFFAOYSA-N 1 2 259.740 3.671 50 0 CHAALO Cc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)o1 ZINC000110707856 567945531 /nfs/dbraw/zinc/94/55/31/567945531.db2.gz VYBVYCGCVRXPCB-XXLQHYSLSA-N 1 2 291.782 3.518 50 0 CHAALO c1coc(C[N@H+](Cc2cscn2)C2CCCC2)c1 ZINC000048299689 567946373 /nfs/dbraw/zinc/94/63/73/567946373.db2.gz XIJYAUFZRNXHJN-UHFFFAOYSA-N 1 2 262.378 3.681 50 0 CHAALO c1coc(C[N@@H+](Cc2cscn2)C2CCCC2)c1 ZINC000048299689 567946375 /nfs/dbraw/zinc/94/63/75/567946375.db2.gz XIJYAUFZRNXHJN-UHFFFAOYSA-N 1 2 262.378 3.681 50 0 CHAALO FC(F)(F)c1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000215557501 567947210 /nfs/dbraw/zinc/94/72/10/567947210.db2.gz YPILMXYEDQMIRS-HUUCEWRRSA-N 1 2 299.336 3.849 50 0 CHAALO FC(F)(F)c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000215557501 567947211 /nfs/dbraw/zinc/94/72/11/567947211.db2.gz YPILMXYEDQMIRS-HUUCEWRRSA-N 1 2 299.336 3.849 50 0 CHAALO CCCc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000216197114 567947641 /nfs/dbraw/zinc/94/76/41/567947641.db2.gz ICXPRMOXHNTJOZ-LJQANCHMSA-N 1 2 298.430 3.721 50 0 CHAALO CCCc1ccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000216197114 567947642 /nfs/dbraw/zinc/94/76/42/567947642.db2.gz ICXPRMOXHNTJOZ-LJQANCHMSA-N 1 2 298.430 3.721 50 0 CHAALO Cc1cc([C@H](C)[NH2+]Cc2ccccc2OC(C)C)no1 ZINC000225734617 567954658 /nfs/dbraw/zinc/95/46/58/567954658.db2.gz UYFDUIIVXAYGDF-ZDUSSCGKSA-N 1 2 274.364 3.621 50 0 CHAALO C[C@@H]1[C@H](c2ccccc2)O[C@H](c2cccs2)[N@@H+]1C ZINC000036025340 570233321 /nfs/dbraw/zinc/23/33/21/570233321.db2.gz UFDNKBVVFFWGRF-KCPJHIHWSA-N 1 2 259.374 3.839 50 0 CHAALO C[C@@H]1[C@H](c2ccccc2)O[C@H](c2cccs2)[N@H+]1C ZINC000036025340 570233324 /nfs/dbraw/zinc/23/33/24/570233324.db2.gz UFDNKBVVFFWGRF-KCPJHIHWSA-N 1 2 259.374 3.839 50 0 CHAALO Cc1nnsc1CN(C)c1cc(C)c2cc(C)ccc2[nH+]1 ZINC000055153963 570241227 /nfs/dbraw/zinc/24/12/27/570241227.db2.gz ZOIMHSMLAZYAOX-UHFFFAOYSA-N 1 2 298.415 3.648 50 0 CHAALO Cc1cccc2[nH+]c(CNc3nc4ccccc4s3)cn21 ZINC000000809970 570270950 /nfs/dbraw/zinc/27/09/50/570270950.db2.gz BRSWQKGAOFNRFR-UHFFFAOYSA-N 1 2 294.383 3.865 50 0 CHAALO C[C@H](Sc1[nH+]cc2ccccn21)c1cccnc1 ZINC000079576197 570273037 /nfs/dbraw/zinc/27/30/37/570273037.db2.gz MBSRKSNIXJQOKY-NSHDSACASA-N 1 2 255.346 3.583 50 0 CHAALO Clc1snnc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000048287169 570296877 /nfs/dbraw/zinc/29/68/77/570296877.db2.gz SGOSUSVYQJRQKT-LBPRGKRZSA-N 1 2 285.844 3.736 50 0 CHAALO Clc1snnc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000048287169 570296878 /nfs/dbraw/zinc/29/68/78/570296878.db2.gz SGOSUSVYQJRQKT-LBPRGKRZSA-N 1 2 285.844 3.736 50 0 CHAALO Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(F)c1F ZINC000215125596 570302359 /nfs/dbraw/zinc/30/23/59/570302359.db2.gz KJEBXQRDOMFLBQ-UHFFFAOYSA-N 1 2 288.341 3.833 50 0 CHAALO Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(F)c1F ZINC000215125596 570302361 /nfs/dbraw/zinc/30/23/61/570302361.db2.gz KJEBXQRDOMFLBQ-UHFFFAOYSA-N 1 2 288.341 3.833 50 0 CHAALO CC[C@@H]1C=CC[N@@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000952964282 615551193 /nfs/dbraw/zinc/55/11/93/615551193.db2.gz MOHKSLFDJCIEMQ-SECBINFHSA-N 1 2 272.175 3.849 50 0 CHAALO CC[C@@H]1C=CC[N@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000952964282 615551194 /nfs/dbraw/zinc/55/11/94/615551194.db2.gz MOHKSLFDJCIEMQ-SECBINFHSA-N 1 2 272.175 3.849 50 0 CHAALO Cc1cccc(OCCCCCn2cc[nH+]c2)c1C ZINC000002496743 1118573726 /nfs/dbraw/zinc/57/37/26/1118573726.db2.gz SDMLOLGNMTTYQK-UHFFFAOYSA-N 1 2 258.365 3.749 50 0 CHAALO CCCc1noc(C[N@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000252490252 1119531569 /nfs/dbraw/zinc/53/15/69/1119531569.db2.gz KNCIQUFSSCWWLU-UHFFFAOYSA-N 1 2 298.390 3.526 50 0 CHAALO CCCc1noc(C[N@@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000252490252 1119531572 /nfs/dbraw/zinc/53/15/72/1119531572.db2.gz KNCIQUFSSCWWLU-UHFFFAOYSA-N 1 2 298.390 3.526 50 0 CHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)N1CCCCCCC1 ZINC000095519715 185002235 /nfs/dbraw/zinc/00/22/35/185002235.db2.gz XUQHDZWRMXCJKK-UHFFFAOYSA-N 1 2 298.390 3.670 50 0 CHAALO C[C@H](c1cccnc1)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000127753992 187331227 /nfs/dbraw/zinc/33/12/27/187331227.db2.gz GTDWRBQYQCARBH-CQSZACIVSA-N 1 2 293.370 3.930 50 0 CHAALO C[C@H](c1cccnc1)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000127753992 187331228 /nfs/dbraw/zinc/33/12/28/187331228.db2.gz GTDWRBQYQCARBH-CQSZACIVSA-N 1 2 293.370 3.930 50 0 CHAALO Clc1cnccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000083215382 178357030 /nfs/dbraw/zinc/35/70/30/178357030.db2.gz LIVYLUHFPAZTDI-UHFFFAOYSA-N 1 2 293.823 3.751 50 0 CHAALO CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2[nH]c[nH+]c2C)C1 ZINC000091738399 180243806 /nfs/dbraw/zinc/24/38/06/180243806.db2.gz HRJYQTSPKDDCQO-QGZVFWFLSA-N 1 2 289.423 3.593 50 0 CHAALO Cc1csc(C2([NH2+]Cc3ccc(C)o3)CCC2)n1 ZINC000299638639 200815464 /nfs/dbraw/zinc/81/54/64/200815464.db2.gz SBUTYWPOESJPDR-UHFFFAOYSA-N 1 2 262.378 3.522 50 0 CHAALO Brc1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000002494052 169795133 /nfs/dbraw/zinc/79/51/33/169795133.db2.gz NXYDWSHWKLXSEW-UHFFFAOYSA-N 1 2 295.180 3.505 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Cl)c1 ZINC000005627971 170121598 /nfs/dbraw/zinc/12/15/98/170121598.db2.gz BPEYQHVWEVAIPK-UHFFFAOYSA-N 1 2 299.761 3.637 50 0 CHAALO c1[nH]c2ccc(OCc3ccccc3)cc2c1CC[NH+]1CC1 ZINC000007518943 170287965 /nfs/dbraw/zinc/28/79/65/170287965.db2.gz GYYSLTJNZCQASK-UHFFFAOYSA-N 1 2 292.382 3.605 50 0 CHAALO CCc1nc(C[N@H+](CC)Cc2cccs2)cs1 ZINC000040049838 174185097 /nfs/dbraw/zinc/18/50/97/174185097.db2.gz VXWFRWFIHGTFLT-UHFFFAOYSA-N 1 2 266.435 3.789 50 0 CHAALO CCc1nc(C[N@@H+](CC)Cc2cccs2)cs1 ZINC000040049838 174185099 /nfs/dbraw/zinc/18/50/99/174185099.db2.gz VXWFRWFIHGTFLT-UHFFFAOYSA-N 1 2 266.435 3.789 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2[nH+]1 ZINC000040286879 174219652 /nfs/dbraw/zinc/21/96/52/174219652.db2.gz MCRNNSFLKQXKCH-UHFFFAOYSA-N 1 2 285.734 3.777 50 0 CHAALO Cc1[nH]c2cc(NC(=O)c3cccc(Cl)c3)ccc2[nH+]1 ZINC000040286879 174219653 /nfs/dbraw/zinc/21/96/53/174219653.db2.gz MCRNNSFLKQXKCH-UHFFFAOYSA-N 1 2 285.734 3.777 50 0 CHAALO Cc1ccc(-c2[nH+]ccn2CCc2cscn2)cc1C ZINC000071759573 176261404 /nfs/dbraw/zinc/26/14/04/176261404.db2.gz MMNJEKMQIAULJB-UHFFFAOYSA-N 1 2 283.400 3.866 50 0 CHAALO Cc1ccc2nc(Cn3cc[nH+]c3[C@@H]3CC=CCC3)[nH]c2c1 ZINC000072149262 176326534 /nfs/dbraw/zinc/32/65/34/176326534.db2.gz WIQLNJPXNFVIOU-CQSZACIVSA-N 1 2 292.386 3.940 50 0 CHAALO Cc1ccc2[nH]c(Cn3cc[nH+]c3[C@@H]3CC=CCC3)nc2c1 ZINC000072149262 176326536 /nfs/dbraw/zinc/32/65/36/176326536.db2.gz WIQLNJPXNFVIOU-CQSZACIVSA-N 1 2 292.386 3.940 50 0 CHAALO C[NH+](Cc1cc(C2CCCCC2)no1)Cc1ccccn1 ZINC000252509057 566832921 /nfs/dbraw/zinc/83/29/21/566832921.db2.gz YBTMMXNMNVLGGL-UHFFFAOYSA-N 1 2 285.391 3.749 50 0 CHAALO CCCc1[nH]c2ccc(CCC(=O)NC3CCCC3)cc2[nH+]1 ZINC000075478706 566958971 /nfs/dbraw/zinc/95/89/71/566958971.db2.gz VYYGUKDWNHIJNY-UHFFFAOYSA-N 1 2 299.418 3.507 50 0 CHAALO CCCc1[nH]c2cc(CCC(=O)NC3CCCC3)ccc2[nH+]1 ZINC000075478706 566958974 /nfs/dbraw/zinc/95/89/74/566958974.db2.gz VYYGUKDWNHIJNY-UHFFFAOYSA-N 1 2 299.418 3.507 50 0 CHAALO Cc1nnc([C@H](C)[N@H+](C)Cc2cc(C)cc(C)c2)s1 ZINC000225772767 567149289 /nfs/dbraw/zinc/14/92/89/567149289.db2.gz KYGJCBHDHNNBNV-LBPRGKRZSA-N 1 2 275.421 3.656 50 0 CHAALO Cc1nnc([C@H](C)[N@@H+](C)Cc2cc(C)cc(C)c2)s1 ZINC000225772767 567149290 /nfs/dbraw/zinc/14/92/90/567149290.db2.gz KYGJCBHDHNNBNV-LBPRGKRZSA-N 1 2 275.421 3.656 50 0 CHAALO Cc1cccc2[nH+]c(CSCc3ccco3)cn21 ZINC000003264668 567165560 /nfs/dbraw/zinc/16/55/60/567165560.db2.gz CYWMXGBFAQKKHN-UHFFFAOYSA-N 1 2 258.346 3.669 50 0 CHAALO c1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]32)cc1 ZINC000059022337 567185790 /nfs/dbraw/zinc/18/57/90/567185790.db2.gz UHJYLWWXVLLREL-GOSISDBHSA-N 1 2 264.372 3.629 50 0 biogenic CHAALO c1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]32)cc1 ZINC000059022337 567185792 /nfs/dbraw/zinc/18/57/92/567185792.db2.gz UHJYLWWXVLLREL-GOSISDBHSA-N 1 2 264.372 3.629 50 0 biogenic CHAALO Cc1[nH]c2c([nH+]1)CCN(Cc1ccc(CC(C)C)s1)C2 ZINC000670459762 567190563 /nfs/dbraw/zinc/19/05/63/567190563.db2.gz PJMKSJCCUJEBCX-UHFFFAOYSA-N 1 2 289.448 3.536 50 0 CHAALO Cc1nc2c([nH]1)C[N@H+](Cc1ccc(CC(C)C)s1)CC2 ZINC000670459762 567190569 /nfs/dbraw/zinc/19/05/69/567190569.db2.gz PJMKSJCCUJEBCX-UHFFFAOYSA-N 1 2 289.448 3.536 50 0 CHAALO Cc1nc2c([nH]1)C[N@@H+](Cc1ccc(CC(C)C)s1)CC2 ZINC000670459762 567190573 /nfs/dbraw/zinc/19/05/73/567190573.db2.gz PJMKSJCCUJEBCX-UHFFFAOYSA-N 1 2 289.448 3.536 50 0 CHAALO CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000010386140 567205188 /nfs/dbraw/zinc/20/51/88/567205188.db2.gz RWLWBJFBBQCKFH-ZDUSSCGKSA-N 1 2 295.390 3.643 50 0 CHAALO CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000000000164 567816616 /nfs/dbraw/zinc/81/66/16/567816616.db2.gz OWEGWHBOCFMBLP-AWEZNQCLSA-N 1 2 292.766 3.729 50 0 world CHAALO C[C@H]1CCc2[nH+]c3sc4c(c3c(N)c2C1)CCCC4 ZINC000000099883 567818343 /nfs/dbraw/zinc/81/83/43/567818343.db2.gz ASNZHKJGGYRNAY-VIFPVBQESA-N 1 2 272.417 3.882 50 0 aggregator CHAALO CCc1[nH+]c2ccccc2n1C[C@@H]1CC1(Cl)Cl ZINC000000462400 567831599 /nfs/dbraw/zinc/83/15/99/567831599.db2.gz UJZAGOWJNGCRRQ-VIFPVBQESA-N 1 2 269.175 3.793 50 0 CHAALO Brc1ccccc1OCCCCn1cc[nH+]c1 ZINC000002494144 567845780 /nfs/dbraw/zinc/84/57/80/567845780.db2.gz ITQSGIJZBMXRMD-UHFFFAOYSA-N 1 2 295.180 3.505 50 0 CHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC(C)C)cc1 ZINC000004354915 567864036 /nfs/dbraw/zinc/86/40/36/567864036.db2.gz ABXDXEYVIASTOV-UHFFFAOYSA-N 1 2 295.390 3.582 50 0 CHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 ZINC000015554694 567871066 /nfs/dbraw/zinc/87/10/66/567871066.db2.gz GCTHKGNOFWEDRP-MRXNPFEDSA-N 1 2 286.762 3.732 50 0 CHAALO Brc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000019479641 567878132 /nfs/dbraw/zinc/87/81/32/567878132.db2.gz TZTRSTMVTWWEDG-UHFFFAOYSA-N 1 2 250.095 3.636 50 0 CHAALO COc1ccc([NH2+][C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000000182345 567883971 /nfs/dbraw/zinc/88/39/71/567883971.db2.gz VNFOAITYQXMRQH-ZDUSSCGKSA-N 1 2 271.360 3.834 50 0 CHAALO Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643121 567884826 /nfs/dbraw/zinc/88/48/26/567884826.db2.gz AOGVGAGEVYOQTD-GOSISDBHSA-N 1 2 291.398 3.608 50 0 CHAALO C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055483914 567894384 /nfs/dbraw/zinc/89/43/84/567894384.db2.gz IKSGNXSKFBMJLS-SKDZVZGDSA-N 1 2 265.356 3.668 50 0 CHAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc(F)c1F ZINC000076017339 567894758 /nfs/dbraw/zinc/89/47/58/567894758.db2.gz QNRIPXBOVDTSEH-UHFFFAOYSA-N 1 2 299.280 3.607 50 0 CHAALO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2F)on1 ZINC000064667005 567897958 /nfs/dbraw/zinc/89/79/58/567897958.db2.gz YSXJFZUNNGMHAA-OAHLLOKOSA-N 1 2 292.329 3.852 50 0 CHAALO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2F)on1 ZINC000064667005 567897959 /nfs/dbraw/zinc/89/79/59/567897959.db2.gz YSXJFZUNNGMHAA-OAHLLOKOSA-N 1 2 292.329 3.852 50 0 CHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2F)on1 ZINC000064666900 567898095 /nfs/dbraw/zinc/89/80/95/567898095.db2.gz ONDQOJKVNJQRGZ-CQSZACIVSA-N 1 2 278.302 3.598 50 0 CHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2F)on1 ZINC000064666900 567898096 /nfs/dbraw/zinc/89/80/96/567898096.db2.gz ONDQOJKVNJQRGZ-CQSZACIVSA-N 1 2 278.302 3.598 50 0 CHAALO CCOc1ccc(-c2c[nH]c(-c3[nH+]c(CC)[nH]c3C)n2)cc1 ZINC000065372632 567898497 /nfs/dbraw/zinc/89/84/97/567898497.db2.gz MVEFQTUMHGQFPF-UHFFFAOYSA-N 1 2 296.374 3.736 50 0 CHAALO Cc1cccc(C)c1OCCn1cc[nH+]c1-c1cccnc1 ZINC000067673842 567900210 /nfs/dbraw/zinc/90/02/10/567900210.db2.gz YYTVSHQMBCQBLD-UHFFFAOYSA-N 1 2 293.370 3.641 50 0 CHAALO C[C@@H](c1[nH+]ccn1CCC1(O)CCCC1)c1ccccc1 ZINC000072474624 567903001 /nfs/dbraw/zinc/90/30/01/567903001.db2.gz MVINWGRTTXIMLE-OAHLLOKOSA-N 1 2 284.403 3.730 50 0 CHAALO c1ncc(CNc2ccc(-c3ccccc3)c[nH+]2)s1 ZINC000097094818 567904224 /nfs/dbraw/zinc/90/42/24/567904224.db2.gz YDRNBMNAVHJFBL-UHFFFAOYSA-N 1 2 267.357 3.817 50 0 CHAALO Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2noc(C(C)C)n2)o1 ZINC000077439795 567905478 /nfs/dbraw/zinc/90/54/78/567905478.db2.gz NMVIOBVEWLWIHM-LBPRGKRZSA-N 1 2 291.395 3.720 50 0 CHAALO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2noc(C(C)C)n2)o1 ZINC000077439795 567905479 /nfs/dbraw/zinc/90/54/79/567905479.db2.gz NMVIOBVEWLWIHM-LBPRGKRZSA-N 1 2 291.395 3.720 50 0 CHAALO CC(C)C[C@H]1CCCC[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000000171875 567924423 /nfs/dbraw/zinc/92/44/23/567924423.db2.gz SIXWBKPDADVZKS-HZPDHXFCSA-N 1 2 281.440 3.620 50 0 CHAALO Cc1ccc(Nc2nc(C)[nH+]c3c2CCC3)cc1C ZINC000011907752 567928942 /nfs/dbraw/zinc/92/89/42/567928942.db2.gz ZYHLVLWBLFMHRA-UHFFFAOYSA-N 1 2 253.349 3.634 50 0 CHAALO CC(C)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000421026 567930286 /nfs/dbraw/zinc/93/02/86/567930286.db2.gz JBYQXSODJROSTF-UHFFFAOYSA-N 1 2 284.388 3.564 50 0 CHAALO Cc1[nH+]c2ccccc2n1CCCOc1ccccc1 ZINC000013017783 567940979 /nfs/dbraw/zinc/94/09/79/567940979.db2.gz RHCRTVNVYZASSY-UHFFFAOYSA-N 1 2 266.344 3.814 50 0 CHAALO Cc1cc2[nH+]cn(Cc3cccc(F)c3)c2cc1C ZINC000025219037 567948996 /nfs/dbraw/zinc/94/89/96/567948996.db2.gz RVOCLMIZQGTWAC-UHFFFAOYSA-N 1 2 254.308 3.841 50 0 CHAALO CC(=O)c1cc(C[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC000223006245 567949292 /nfs/dbraw/zinc/94/92/92/567949292.db2.gz ACSNMNUUYRJGCK-UHFFFAOYSA-N 1 2 277.364 3.722 50 0 CHAALO CC(=O)c1cc(C[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC000223006245 567949293 /nfs/dbraw/zinc/94/92/93/567949293.db2.gz ACSNMNUUYRJGCK-UHFFFAOYSA-N 1 2 277.364 3.722 50 0 CHAALO Brc1ccc(-c2c[nH+]c3n2CCCC3)cc1 ZINC000000494713 570282793 /nfs/dbraw/zinc/28/27/93/570282793.db2.gz HCJNLAMCRCKSSQ-UHFFFAOYSA-N 1 2 277.165 3.649 50 0 CHAALO COc1ccc(Cl)cc1NCc1cn2ccccc2[nH+]1 ZINC000020048813 570290720 /nfs/dbraw/zinc/29/07/20/570290720.db2.gz GKXYNOMCMNYJCE-UHFFFAOYSA-N 1 2 287.750 3.608 50 0 CHAALO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000215122703 570302367 /nfs/dbraw/zinc/30/23/67/570302367.db2.gz CWUOZJVBNQFPDB-CYBMUJFWSA-N 1 2 262.740 3.665 50 0 CHAALO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000215122703 570302368 /nfs/dbraw/zinc/30/23/68/570302368.db2.gz CWUOZJVBNQFPDB-CYBMUJFWSA-N 1 2 262.740 3.665 50 0 CHAALO CCCCc1nc(Cl)c(C[N@@H+]2CC=C(C)CC2)[nH]1 ZINC000215459376 570303353 /nfs/dbraw/zinc/30/33/53/570303353.db2.gz SLEBTGIXHCSOJY-UHFFFAOYSA-N 1 2 267.804 3.558 50 0 CHAALO CCCCc1nc(Cl)c(C[N@H+]2CC=C(C)CC2)[nH]1 ZINC000215459376 570303351 /nfs/dbraw/zinc/30/33/51/570303351.db2.gz SLEBTGIXHCSOJY-UHFFFAOYSA-N 1 2 267.804 3.558 50 0 CHAALO Cc1noc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069738826 570402568 /nfs/dbraw/zinc/40/25/68/570402568.db2.gz KFGKWCLWFAHQQA-BONVTDFDSA-N 1 2 289.354 3.709 50 0 CHAALO CSc1ccc2[nH+]c(NC[C@@H]3CCCO3)cc(C)c2c1 ZINC000023634755 1119996300 /nfs/dbraw/zinc/99/63/00/1119996300.db2.gz YCUGPXLRDDQLRM-LBPRGKRZSA-N 1 2 288.416 3.856 50 0 CHAALO c1c(CCNc2nc3ccccc3s2)[nH+]c2ccccn12 ZINC000012579848 1122671870 /nfs/dbraw/zinc/67/18/70/1122671870.db2.gz POLOHIBJDFOPFO-UHFFFAOYSA-N 1 2 294.383 3.599 50 0 CHAALO Clc1ccccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000254440711 1129694551 /nfs/dbraw/zinc/69/45/51/1129694551.db2.gz GUIKOYLPSCUSPV-UHFFFAOYSA-N 1 2 296.761 3.972 50 0 CHAALO Cc1nnc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)o1 ZINC000096500936 230384637 /nfs/dbraw/zinc/38/46/37/230384637.db2.gz HURDIAZFWBYPBM-CQSZACIVSA-N 1 2 297.761 3.657 50 0 CHAALO c1csc([C@@H]2CCCC[N@H+]2Cc2ccsc2)n1 ZINC000127731933 187329002 /nfs/dbraw/zinc/32/90/02/187329002.db2.gz GRSRMBVMZSREFR-LBPRGKRZSA-N 1 2 264.419 3.932 50 0 CHAALO c1csc([C@@H]2CCCC[N@@H+]2Cc2ccsc2)n1 ZINC000127731933 187329003 /nfs/dbraw/zinc/32/90/03/187329003.db2.gz GRSRMBVMZSREFR-LBPRGKRZSA-N 1 2 264.419 3.932 50 0 CHAALO CC(C)n1ccnc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000095986041 185056270 /nfs/dbraw/zinc/05/62/70/185056270.db2.gz WTPLIHJKESJIQS-LLVKDONJSA-N 1 2 279.334 3.593 50 0 CHAALO CSc1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000298071884 200327606 /nfs/dbraw/zinc/32/76/06/200327606.db2.gz IKDLAMYNJKZDSA-UHFFFAOYSA-N 1 2 297.374 3.632 50 0 CHAALO CSc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000298071884 200327608 /nfs/dbraw/zinc/32/76/08/200327608.db2.gz IKDLAMYNJKZDSA-UHFFFAOYSA-N 1 2 297.374 3.632 50 0 CHAALO Clc1ccc([C@H]([NH2+]C2CCCCC2)c2ncon2)cc1 ZINC000095988537 256882346 /nfs/dbraw/zinc/88/23/46/256882346.db2.gz CERNXHONECVQEG-AWEZNQCLSA-N 1 2 291.782 3.735 50 0 CHAALO c1cn(CCOc2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000004841891 170028417 /nfs/dbraw/zinc/02/84/17/170028417.db2.gz SWUXHIDBUWCREV-UHFFFAOYSA-N 1 2 264.328 3.629 50 0 CHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)cc1 ZINC000006551830 170212660 /nfs/dbraw/zinc/21/26/60/170212660.db2.gz ZTXLPZNLBMAYED-UHFFFAOYSA-N 1 2 293.370 3.546 50 0 CHAALO c1c(CSc2ncnc3ccccc32)[nH+]c2ccccn12 ZINC000008011734 170313399 /nfs/dbraw/zinc/31/33/99/170313399.db2.gz RUSBCSDTUGWUQO-UHFFFAOYSA-N 1 2 292.367 3.570 50 0 CHAALO CCCCc1noc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000040049818 174184789 /nfs/dbraw/zinc/18/47/89/174184789.db2.gz HSGCMSWOOYGXJK-LBPRGKRZSA-N 1 2 291.420 3.811 50 0 CHAALO CCCCc1noc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000040049818 174184790 /nfs/dbraw/zinc/18/47/90/174184790.db2.gz HSGCMSWOOYGXJK-LBPRGKRZSA-N 1 2 291.420 3.811 50 0 CHAALO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040050398 174184812 /nfs/dbraw/zinc/18/48/12/174184812.db2.gz WHZLCDNWAMSLLG-GFCCVEGCSA-N 1 2 291.420 3.667 50 0 CHAALO CC(C)Cc1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040050398 174184813 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ZINC000072307685 176366398 /nfs/dbraw/zinc/36/63/98/176366398.db2.gz HRJBPXKIMWVXEQ-UHFFFAOYSA-N 1 2 284.407 3.726 50 0 CHAALO FC(F)(F)c1nn(C2CCCC2)c2cc[nH+]cc21 ZINC000095939556 527690798 /nfs/dbraw/zinc/69/07/98/527690798.db2.gz GLSNCLGBVLQIQY-UHFFFAOYSA-N 1 2 255.243 3.565 50 0 CHAALO c1coc(C[N@H+](Cc2nccs2)C2CCCC2)c1 ZINC000084432600 566882150 /nfs/dbraw/zinc/88/21/50/566882150.db2.gz WWGMHPPUEZLORR-UHFFFAOYSA-N 1 2 262.378 3.681 50 0 CHAALO c1coc(C[N@@H+](Cc2nccs2)C2CCCC2)c1 ZINC000084432600 566882157 /nfs/dbraw/zinc/88/21/57/566882157.db2.gz WWGMHPPUEZLORR-UHFFFAOYSA-N 1 2 262.378 3.681 50 0 CHAALO CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000065518272 567008088 /nfs/dbraw/zinc/00/80/88/567008088.db2.gz ALDVBXYHIHRBQN-HOCLYGCPSA-N 1 2 297.402 3.820 50 0 CHAALO CCc1ccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)cc1 ZINC000036964424 567010214 /nfs/dbraw/zinc/01/02/14/567010214.db2.gz KZCLMPBOAUMQHB-UHFFFAOYSA-N 1 2 280.327 3.564 50 0 CHAALO CCc1ccc([C@@H](C)[NH2+]Cc2cn3cccc(C)c3n2)o1 ZINC000090045094 567033689 /nfs/dbraw/zinc/03/36/89/567033689.db2.gz OQTGFFACRJYDOI-CYBMUJFWSA-N 1 2 283.375 3.649 50 0 CHAALO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422170 567131684 /nfs/dbraw/zinc/13/16/84/567131684.db2.gz DXOAEFMLFRGKTR-GHMZBOCLSA-N 1 2 278.425 3.641 50 0 CHAALO CCn1cc[nH+]c1-c1cccc(NCc2scnc2C)c1 ZINC000095429366 567134875 /nfs/dbraw/zinc/13/48/75/567134875.db2.gz LVLUTIAZUQWMAQ-UHFFFAOYSA-N 1 2 298.415 3.947 50 0 CHAALO CCc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)C)o2)o1 ZINC000096410349 567142841 /nfs/dbraw/zinc/14/28/41/567142841.db2.gz ZIFIVUAWAOSZLZ-CYBMUJFWSA-N 1 2 289.379 3.686 50 0 CHAALO CCc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C(C)C)o2)o1 ZINC000096410349 567142846 /nfs/dbraw/zinc/14/28/46/567142846.db2.gz ZIFIVUAWAOSZLZ-CYBMUJFWSA-N 1 2 289.379 3.686 50 0 CHAALO CCn1cc[nH+]c1CNc1cccc(Cl)c1NC(C)C ZINC000097227724 567143948 /nfs/dbraw/zinc/14/39/48/567143948.db2.gz ILKSPIAURANLMO-UHFFFAOYSA-N 1 2 292.814 3.989 50 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CC[C@H]1C=CC[N@@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000952964289 615877312 /nfs/dbraw/zinc/87/73/12/615877312.db2.gz MOHKSLFDJCIEMQ-VIFPVBQESA-N 1 2 272.175 3.849 50 0 CHAALO CC[C@H]1C=CC[N@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000952964289 615877315 /nfs/dbraw/zinc/87/73/15/615877315.db2.gz MOHKSLFDJCIEMQ-VIFPVBQESA-N 1 2 272.175 3.849 50 0 CHAALO COc1cnccc1[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000187035581 1121488416 /nfs/dbraw/zinc/48/84/16/1121488416.db2.gz MGZZLLQZNJZTSW-NSHDSACASA-N 1 2 299.399 3.551 50 0 CHAALO Clc1ccc(SCCCn2cc[nH+]c2)cc1 ZINC000003460574 1123179190 /nfs/dbraw/zinc/17/91/90/1123179190.db2.gz KAEYNDMOTDKXMR-UHFFFAOYSA-N 1 2 252.770 3.719 50 0 CHAALO Cc1[nH]c([C@@H]2CCCN2Cc2ccccc2F)[nH+]c1C ZINC000952994150 1132019137 /nfs/dbraw/zinc/01/91/37/1132019137.db2.gz MSZFBCJKULNKAL-HNNXBMFYSA-N 1 2 273.355 3.503 50 0 CHAALO FC1(F)C[C@@H](COc2cccnc2)[N@@H+](C2CCCCC2)C1 ZINC000409421485 1135132453 /nfs/dbraw/zinc/13/24/53/1135132453.db2.gz VRLYPEIKWRYZDN-AWEZNQCLSA-N 1 2 296.361 3.503 50 0 CHAALO FC1(F)C[C@@H](COc2cccnc2)[N@H+](C2CCCCC2)C1 ZINC000409421485 1135132457 /nfs/dbraw/zinc/13/24/57/1135132457.db2.gz VRLYPEIKWRYZDN-AWEZNQCLSA-N 1 2 296.361 3.503 50 0 CHAALO O=C(OC1CCCCCCC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000095942849 185037584 /nfs/dbraw/zinc/03/75/84/185037584.db2.gz VMRWNAGQFDQDAE-UHFFFAOYSA-N 1 2 299.374 3.537 50 0 CHAALO C[N@H+](Cn1ncsc1=S)[C@@H]1CCCc2ccccc21 ZINC000095947970 185038423 /nfs/dbraw/zinc/03/84/23/185038423.db2.gz DPCGBFDVEXTGOF-CYBMUJFWSA-N 1 2 291.445 3.641 50 0 CHAALO C[N@@H+](Cn1ncsc1=S)[C@@H]1CCCc2ccccc21 ZINC000095947970 185038424 /nfs/dbraw/zinc/03/84/24/185038424.db2.gz DPCGBFDVEXTGOF-CYBMUJFWSA-N 1 2 291.445 3.641 50 0 CHAALO CC[C@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 ZINC000095984392 185055152 /nfs/dbraw/zinc/05/51/52/185055152.db2.gz WJZNOUVNHVWRKE-RNCFNFMXSA-N 1 2 279.771 3.833 50 0 CHAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000127753750 187331319 /nfs/dbraw/zinc/33/13/19/187331319.db2.gz GTDWRBQYQCARBH-AWEZNQCLSA-N 1 2 293.370 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3.831 50 0 CHAALO COc1ccc(C2C(C)=Nc3ccccc3NC2=[NH2+])cc1 ZINC000008733477 170352083 /nfs/dbraw/zinc/35/20/83/170352083.db2.gz HBYWQWYIXIGQFW-UHFFFAOYSA-N 1 2 279.343 3.541 50 0 CHAALO CCCn1c2ccccc2[nH+]c1NCc1ccc(O)cc1 ZINC000009262001 170369566 /nfs/dbraw/zinc/36/95/66/170369566.db2.gz AMVXQKGIDQPCED-UHFFFAOYSA-N 1 2 281.359 3.764 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)no1 ZINC000021720650 171321060 /nfs/dbraw/zinc/32/10/60/171321060.db2.gz QVGRIZICSODTRH-MRXNPFEDSA-N 1 2 286.375 3.841 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(O)cc2)no1 ZINC000021720650 171321062 /nfs/dbraw/zinc/32/10/62/171321062.db2.gz QVGRIZICSODTRH-MRXNPFEDSA-N 1 2 286.375 3.841 50 0 CHAALO Cc1ccc2[nH+]cn(C3CCN(C(=O)CC(C)C)CC3)c2c1 ZINC000034915243 171892724 /nfs/dbraw/zinc/89/27/24/171892724.db2.gz LYTDIKIOOKTRGO-UHFFFAOYSA-N 1 2 299.418 3.554 50 0 CHAALO Nc1ccc(Oc2cccc(F)c2)c2cc[nH+]cc12 ZINC000035333069 172131930 /nfs/dbraw/zinc/13/19/30/172131930.db2.gz KCYUSMAAYVFSGW-UHFFFAOYSA-N 1 2 254.264 3.748 50 0 CHAALO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)o1 ZINC000044914522 175276355 /nfs/dbraw/zinc/27/63/55/175276355.db2.gz FONICMPHCOFGLN-NSHDSACASA-N 1 2 291.420 3.766 50 0 CHAALO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000044914522 175276356 /nfs/dbraw/zinc/27/63/56/175276356.db2.gz FONICMPHCOFGLN-NSHDSACASA-N 1 2 291.420 3.766 50 0 CHAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC000077505103 177275863 /nfs/dbraw/zinc/27/58/63/177275863.db2.gz VEHYKGKKGLHWFZ-QGZVFWFLSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cccnc3)nc2c1 ZINC000077505103 177275864 /nfs/dbraw/zinc/27/58/64/177275864.db2.gz VEHYKGKKGLHWFZ-QGZVFWFLSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)[nH]c2c1 ZINC000077505103 177275866 /nfs/dbraw/zinc/27/58/66/177275866.db2.gz VEHYKGKKGLHWFZ-QGZVFWFLSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cccnc3)[nH]c2c1 ZINC000077505103 177275867 /nfs/dbraw/zinc/27/58/67/177275867.db2.gz VEHYKGKKGLHWFZ-QGZVFWFLSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1csc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000077505639 177276247 /nfs/dbraw/zinc/27/62/47/177276247.db2.gz BLRNWXHBCQIYRC-LBPRGKRZSA-N 1 2 298.415 3.712 50 0 CHAALO CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1(C)C ZINC000065518287 567009805 /nfs/dbraw/zinc/00/98/05/567009805.db2.gz ALDVBXYHIHRBQN-GDBMZVCRSA-N 1 2 297.402 3.820 50 0 CHAALO C[NH+](C)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000001286910 567035640 /nfs/dbraw/zinc/03/56/40/567035640.db2.gz BWRISNSQUBWPRC-UHFFFAOYSA-N 1 2 290.370 3.953 50 0 CHAALO COc1ccc([NH2+]C[C@H]2CCc3ccccc3C2=O)cc1 ZINC000002522053 567146715 /nfs/dbraw/zinc/14/67/15/567146715.db2.gz RJJNAJKCJVYRTR-CQSZACIVSA-N 1 2 281.355 3.552 50 0 CHAALO CCCC1=[NH+]C(C)(C)Cc2cc(OC)c(OC)cc21 ZINC000004170674 567190307 /nfs/dbraw/zinc/19/03/07/567190307.db2.gz QKJHPSWKJSFXRB-UHFFFAOYSA-N 1 2 261.365 3.628 50 0 CHAALO COc1ccc(C[C@H]2CCc3[nH+]cc(C)cc3C2)cc1 ZINC000000006447 567816456 /nfs/dbraw/zinc/81/64/56/567816456.db2.gz APMZPAFYMXPYJH-OAHLLOKOSA-N 1 2 267.372 3.746 50 0 CHAALO c1c(CSc2nc3ccccc3o2)[nH+]c2ccccn12 ZINC000000114463 567818782 /nfs/dbraw/zinc/81/87/82/567818782.db2.gz OPZUGZVPWZADKE-UHFFFAOYSA-N 1 2 281.340 3.768 50 0 CHAALO Cc1[nH+]c2ccccc2n1CCOc1ccc(C)cc1 ZINC000000291649 567823840 /nfs/dbraw/zinc/82/38/40/567823840.db2.gz PQJZMXBWFCAZTB-UHFFFAOYSA-N 1 2 266.344 3.732 50 0 CHAALO Cc1nc2ccccc2nc1Sc1[nH+]cc2ccccn21 ZINC000032771200 567868220 /nfs/dbraw/zinc/86/82/20/567868220.db2.gz RBKCBUFYACTHBN-UHFFFAOYSA-N 1 2 292.367 3.737 50 0 CHAALO COc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000016741634 567873903 /nfs/dbraw/zinc/87/39/03/567873903.db2.gz CTXXKPDXWVCUJY-UHFFFAOYSA-N 1 2 272.735 3.972 50 0 CHAALO C[N@H+](Cc1nc(C2CC2)no1)Cc1ccc2ccccc2c1 ZINC000029426095 567884237 /nfs/dbraw/zinc/88/42/37/567884237.db2.gz KCWYWIFNFVIGNW-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO C[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc2ccccc2c1 ZINC000029426095 567884238 /nfs/dbraw/zinc/88/42/38/567884238.db2.gz KCWYWIFNFVIGNW-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO COc1ccccc1OCCCCCCn1cc[nH+]c1 ZINC000003106111 567888435 /nfs/dbraw/zinc/88/84/35/567888435.db2.gz IEFBCTRVDHRTFJ-UHFFFAOYSA-N 1 2 274.364 3.531 50 0 CHAALO Cc1cc2sc(NCCCn3cc[nH+]c3)nc2c(C)c1 ZINC000036657639 567889641 /nfs/dbraw/zinc/88/96/41/567889641.db2.gz MHUHQDWZHZBBRY-UHFFFAOYSA-N 1 2 286.404 3.612 50 0 CHAALO CC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000065495699 567899451 /nfs/dbraw/zinc/89/94/51/567899451.db2.gz DGVDCOFYGUMJQX-UHFFFAOYSA-N 1 2 288.778 3.570 50 0 CHAALO CC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000065495699 567899453 /nfs/dbraw/zinc/89/94/53/567899453.db2.gz DGVDCOFYGUMJQX-UHFFFAOYSA-N 1 2 288.778 3.570 50 0 CHAALO CSc1ccc(-c2nc(Cn3cc[nH+]c3)c(C)o2)cc1 ZINC000067473291 567900208 /nfs/dbraw/zinc/90/02/08/567900208.db2.gz RSFMHIPXRYAWPB-UHFFFAOYSA-N 1 2 285.372 3.617 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000097159086 567905165 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ZINC000044975721 570294637 /nfs/dbraw/zinc/29/46/37/570294637.db2.gz HBIKAODQPPAHIB-CYBMUJFWSA-N 1 2 299.330 3.568 50 0 CHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(-c3ccco3)on2)on1 ZINC000044975721 570294639 /nfs/dbraw/zinc/29/46/39/570294639.db2.gz HBIKAODQPPAHIB-CYBMUJFWSA-N 1 2 299.330 3.568 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000038011491 570313725 /nfs/dbraw/zinc/31/37/25/570313725.db2.gz FRYIDMLWNUFKKQ-HNNXBMFYSA-N 1 2 275.783 3.612 50 0 CHAALO CC(C)c1cccc(OC/C=C/Cn2cc[nH+]c2)c1 ZINC000012383079 570338927 /nfs/dbraw/zinc/33/89/27/570338927.db2.gz NBZRPCQQEZXOIP-ONEGZZNKSA-N 1 2 256.349 3.642 50 0 CHAALO C[N@H+](Cc1ccco1)Cc1ncc(-c2ccccc2)o1 ZINC000041392419 570403664 /nfs/dbraw/zinc/40/36/64/570403664.db2.gz SPLOFOAIIXACGG-UHFFFAOYSA-N 1 2 268.316 3.567 50 0 CHAALO C[N@@H+](Cc1ccco1)Cc1ncc(-c2ccccc2)o1 ZINC000041392419 570403665 /nfs/dbraw/zinc/40/36/65/570403665.db2.gz SPLOFOAIIXACGG-UHFFFAOYSA-N 1 2 268.316 3.567 50 0 CHAALO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC000025404502 1125589590 /nfs/dbraw/zinc/58/95/90/1125589590.db2.gz PQWPHZZSYOEZDM-CYBMUJFWSA-N 1 2 294.826 3.770 50 0 CHAALO C[C@H]1C[N@H+](Cc2ccc(F)cc2F)Cc2ccccc2O1 ZINC000012190774 1120489016 /nfs/dbraw/zinc/48/90/16/1120489016.db2.gz PXPGCXJEVVXRSF-LBPRGKRZSA-N 1 2 289.325 3.748 50 0 CHAALO C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)Cc2ccccc2O1 ZINC000012190774 1120489017 /nfs/dbraw/zinc/48/90/17/1120489017.db2.gz PXPGCXJEVVXRSF-LBPRGKRZSA-N 1 2 289.325 3.748 50 0 CHAALO Cc1[nH+]c[nH]c1CN(Cc1c(F)cccc1Cl)C1CC1 ZINC000252505479 1121652336 /nfs/dbraw/zinc/65/23/36/1121652336.db2.gz VRUOMHKABUTNTE-UHFFFAOYSA-N 1 2 293.773 3.675 50 0 CHAALO CCN(Cc1c[nH+]cn1CC)Cc1c(F)cccc1Cl ZINC000252502788 1121653422 /nfs/dbraw/zinc/65/34/22/1121653422.db2.gz USZZCFVTCFKXBA-UHFFFAOYSA-N 1 2 295.789 3.718 50 0 CHAALO Clc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000254291178 1129680897 /nfs/dbraw/zinc/68/08/97/1129680897.db2.gz NWGMLEBJAZTEPR-UHFFFAOYSA-N 1 2 296.761 3.972 50 0 CHAALO CC(=NNc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000254513338 1129699577 /nfs/dbraw/zinc/69/95/77/1129699577.db2.gz ICCJVUPIKCNQDY-UHFFFAOYSA-N 1 2 294.333 3.848 50 0 CHAALO CCc1[nH+]c(C)cc(CSc2nc3ccccc3[nH]2)c1O ZINC000000186947 1129731807 /nfs/dbraw/zinc/73/18/07/1129731807.db2.gz SEWMORHUYIHQOV-UHFFFAOYSA-N 1 2 299.399 3.827 50 0 CHAALO CSc1ccc([C@H](C)[NH2+]Cc2cscn2)cc1F ZINC000095967546 185046384 /nfs/dbraw/zinc/04/63/84/185046384.db2.gz LVUJSHIRRKNHPU-VIFPVBQESA-N 1 2 282.409 3.855 50 0 CHAALO CC[C@H](NC(=O)c1ccc2oc(C)cc2c1)c1[nH]cc(C)[nH+]1 ZINC000091269970 180117967 /nfs/dbraw/zinc/11/79/67/180117967.db2.gz GXSBXZAVNICIIP-AWEZNQCLSA-N 1 2 297.358 3.654 50 0 CHAALO CC(C)[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1F ZINC000181011103 189286150 /nfs/dbraw/zinc/28/61/50/189286150.db2.gz ZSLLOZNWUFFHRI-AWEZNQCLSA-N 1 2 281.762 3.689 50 0 CHAALO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000000425600 169637260 /nfs/dbraw/zinc/63/72/60/169637260.db2.gz STHOXMOLNPJMNF-CYBMUJFWSA-N 1 2 295.390 3.643 50 0 CHAALO C[C@@H](c1ccccc1)n1c2ccccc2[nH+]c1CCCO ZINC000012383930 256873294 /nfs/dbraw/zinc/87/32/94/256873294.db2.gz IXKDNEGPEZPGGZ-AWEZNQCLSA-N 1 2 280.371 3.571 50 0 CHAALO c1ccc2oc(Nc3ccc(N4CCCCC4)[nH+]c3)nc2c1 ZINC000065548230 134938014 /nfs/dbraw/zinc/93/80/14/134938014.db2.gz HKZWEDOOWBMTDG-UHFFFAOYSA-N 1 2 294.358 3.957 50 0 CHAALO CC(C)(C)c1cccc(OCCCn2cc[nH+]c2)c1 ZINC000004810574 170020955 /nfs/dbraw/zinc/02/09/55/170020955.db2.gz RKNVSLMVFISJFT-UHFFFAOYSA-N 1 2 258.365 3.650 50 0 CHAALO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000020113198 170997655 /nfs/dbraw/zinc/99/76/55/170997655.db2.gz WYJAPUKIYAZSEM-RBUKOAKNSA-N 1 2 294.398 3.775 50 0 biogenic,in-vitro CHAALO CC[C@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000020113198 170997657 /nfs/dbraw/zinc/99/76/57/170997657.db2.gz WYJAPUKIYAZSEM-RBUKOAKNSA-N 1 2 294.398 3.775 50 0 biogenic,in-vitro CHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)no1 ZINC000021720436 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ZINC000069623058 327100307 /nfs/dbraw/zinc/10/03/07/327100307.db2.gz RKODCHLPHSADGM-UHFFFAOYSA-N 1 2 270.376 3.751 50 0 CHAALO CC(C)c1nnsc1C[N@@H+]1CC[C@@H]1c1cccs1 ZINC000240499978 566825272 /nfs/dbraw/zinc/82/52/72/566825272.db2.gz NPYKXPPFLNJVJE-SNVBAGLBSA-N 1 2 279.434 3.670 50 0 CHAALO CC(C)c1nnsc1C[N@H+]1CC[C@@H]1c1cccs1 ZINC000240499978 566825280 /nfs/dbraw/zinc/82/52/80/566825280.db2.gz NPYKXPPFLNJVJE-SNVBAGLBSA-N 1 2 279.434 3.670 50 0 CHAALO CO[C@@H](C)c1cccc(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000075092087 566936522 /nfs/dbraw/zinc/93/65/22/566936522.db2.gz FLLJROVMOBOKAO-AWEZNQCLSA-N 1 2 295.386 3.962 50 0 CHAALO Cc1ccccc1NC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839219 566994721 /nfs/dbraw/zinc/99/47/21/566994721.db2.gz QKBWTKCIMYFKHN-UHFFFAOYSA-N 1 2 291.354 3.741 50 0 CHAALO CC[C@@H]([NH2+]Cc1cc2ccccc2s1)c1noc(C)n1 ZINC000095412278 567129363 /nfs/dbraw/zinc/12/93/63/567129363.db2.gz YWQPVRJDXXSAOQ-CYBMUJFWSA-N 1 2 287.388 3.834 50 0 CHAALO 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CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000010386138 567204549 /nfs/dbraw/zinc/20/45/49/567204549.db2.gz RWLWBJFBBQCKFH-CYBMUJFWSA-N 1 2 295.390 3.643 50 0 CHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC(C)(C)C)cc1C ZINC000010386193 567205567 /nfs/dbraw/zinc/20/55/67/567205567.db2.gz JIYWOFIHERIBDF-UHFFFAOYSA-N 1 2 295.390 3.643 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2[nH+]1 ZINC000043008588 567207009 /nfs/dbraw/zinc/20/70/09/567207009.db2.gz LPGRALLDVXFKRG-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO Cc1[nH]c2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc2[nH+]1 ZINC000043008588 567207010 /nfs/dbraw/zinc/20/70/10/567207010.db2.gz LPGRALLDVXFKRG-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO CCN(CC)C(=S)SCc1cn2cccc(C)c2[nH+]1 ZINC000000078807 567817617 /nfs/dbraw/zinc/81/76/17/567817617.db2.gz VLQSBFDBWVEOAW-UHFFFAOYSA-N 1 2 293.461 3.503 50 0 CHAALO Cc1ccc(C)c(OCCCCCn2cc[nH+]c2)c1 ZINC000006797268 567859498 /nfs/dbraw/zinc/85/94/98/567859498.db2.gz APBHFMBWFNWTEH-UHFFFAOYSA-N 1 2 258.365 3.749 50 0 CHAALO Cc1ccc([C@H](C)[NH2+]Cc2csc([C@H]3CCCO3)n2)o1 ZINC000097374075 567859785 /nfs/dbraw/zinc/85/97/85/567859785.db2.gz GIXBMROYNNZPTR-SMDDNHRTSA-N 1 2 292.404 3.747 50 0 CHAALO COc1ccc([NH2+]C/C=C/c2ccccc2OC)c(OC)c1 ZINC000023282457 567888843 /nfs/dbraw/zinc/88/88/43/567888843.db2.gz ODESKLVFMJKLLL-SOFGYWHQSA-N 1 2 299.370 3.838 50 0 CHAALO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)Cc1ccco1 ZINC000058355998 567895681 /nfs/dbraw/zinc/89/56/81/567895681.db2.gz MBPSUASWBXLVMU-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)Cc1ccco1 ZINC000058355998 567895682 /nfs/dbraw/zinc/89/56/82/567895682.db2.gz MBPSUASWBXLVMU-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO Cc1cnccc1C[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000065462289 567899082 /nfs/dbraw/zinc/89/90/82/567899082.db2.gz HLNWQFWCDJMGQK-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1cnccc1C[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000065462289 567899083 /nfs/dbraw/zinc/89/90/83/567899083.db2.gz HLNWQFWCDJMGQK-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1[nH]cc(-c2cc(NC3CCCC3)nc3[nH]ccc32)[nH+]1 ZINC000072433705 567902747 /nfs/dbraw/zinc/90/27/47/567902747.db2.gz USBMJKRWFGQRIW-UHFFFAOYSA-N 1 2 281.363 3.616 50 0 CHAALO C[C@@H](c1ccccn1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000097113657 567904448 /nfs/dbraw/zinc/90/44/48/567904448.db2.gz NTACCRDVXRNVNI-NSHDSACASA-N 1 2 295.308 3.688 50 0 CHAALO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000097113657 567904450 /nfs/dbraw/zinc/90/44/50/567904450.db2.gz NTACCRDVXRNVNI-NSHDSACASA-N 1 2 295.308 3.688 50 0 CHAALO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)o1 ZINC000097111909 567904589 /nfs/dbraw/zinc/90/45/89/567904589.db2.gz JMRABMWVCWFGKU-QWRGUYRKSA-N 1 2 285.347 3.844 50 0 CHAALO Cc1cnn(CCCn2cc[nH+]c2-c2ccc(F)cc2C)c1 ZINC000077439239 567905528 /nfs/dbraw/zinc/90/55/28/567905528.db2.gz BWHYDKLRYQLHRE-UHFFFAOYSA-N 1 2 298.365 3.593 50 0 CHAALO CCO[C@@H](C)c1ccc(-c2nc(NC)cc(C)[nH+]2)cc1 ZINC000097370381 567910550 /nfs/dbraw/zinc/91/05/50/567910550.db2.gz MGSVALTWZGRHRU-LBPRGKRZSA-N 1 2 271.364 3.591 50 0 CHAALO Cc1cccn2cc(-c3cccc(NC(=O)C(C)C)c3)[nH+]c12 ZINC000000203138 567925033 /nfs/dbraw/zinc/92/50/33/567925033.db2.gz KJJMTIDZHZFTCD-UHFFFAOYSA-N 1 2 293.370 3.904 50 0 CHAALO O=[N+]([O-])c1ccc(/C=C/C=[NH+]/c2ccc(O)cc2)cc1 ZINC000001884596 567929267 /nfs/dbraw/zinc/92/92/67/567929267.db2.gz VZRNIVHKBXPVMN-BNRKTOQCSA-N 1 2 268.272 3.716 50 0 CHAALO C[C@@H]([NH2+]C(C)(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC000097037761 570251127 /nfs/dbraw/zinc/25/11/27/570251127.db2.gz LGAZZBSLTPLOEX-SNVBAGLBSA-N 1 2 293.773 3.855 50 0 CHAALO CC(C)c1nc(C[N@@H+]2CCCC[C@H]2c2cccnc2)co1 ZINC000215160201 570302395 /nfs/dbraw/zinc/30/23/95/570302395.db2.gz NZWSXICDASRFQJ-INIZCTEOSA-N 1 2 285.391 3.920 50 0 CHAALO CC(C)c1nc(C[N@H+]2CCCC[C@H]2c2cccnc2)co1 ZINC000215160201 570302396 /nfs/dbraw/zinc/30/23/96/570302396.db2.gz NZWSXICDASRFQJ-INIZCTEOSA-N 1 2 285.391 3.920 50 0 CHAALO CC(C)(C)c1cccc(OC/C=C/Cn2cc[nH+]c2)c1 ZINC000012381763 570338912 /nfs/dbraw/zinc/33/89/12/570338912.db2.gz UCZHMZWKGCGBQU-SNAWJCMRSA-N 1 2 270.376 3.816 50 0 CHAALO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccccc2)c1 ZINC000226254220 570397906 /nfs/dbraw/zinc/39/79/06/570397906.db2.gz KJUDKQVKSAABRI-UHFFFAOYSA-N 1 2 295.386 3.511 50 0 CHAALO Cc1oc2ccccc2c1C[NH2+]Cc1noc2c1CCCC2 ZINC000288329456 1118191952 /nfs/dbraw/zinc/19/19/52/1118191952.db2.gz ALEZJDZPMVXFJI-UHFFFAOYSA-N 1 2 296.370 3.898 50 0 CHAALO COc1cccc2c1OC[C@@H](Cc1ccc(C)c(C)[nH+]1)C2 ZINC000095377182 1119741018 /nfs/dbraw/zinc/74/10/18/1119741018.db2.gz IUWGNVDUKMNKLN-CQSZACIVSA-N 1 2 283.371 3.501 50 0 CHAALO Cc1cccc(OCCSc2[nH+]cc3ccccn32)c1 ZINC000047822521 1122294073 /nfs/dbraw/zinc/29/40/73/1122294073.db2.gz WIBYXILMWJGSEB-UHFFFAOYSA-N 1 2 284.384 3.814 50 0 CHAALO Cc1c(-c2ccccc2)[nH+]cn1CCC[C@@H]1CCOC1 ZINC000065373175 1129564113 /nfs/dbraw/zinc/56/41/13/1129564113.db2.gz RSVQMWSFNSTXAC-OAHLLOKOSA-N 1 2 270.376 3.675 50 0 CHAALO CC[C@@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 ZINC000095984393 185055090 /nfs/dbraw/zinc/05/50/90/185055090.db2.gz WJZNOUVNHVWRKE-NOZJJQNGSA-N 1 2 279.771 3.833 50 0 CHAALO Cc1cnc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)o1 ZINC000095985745 185055220 /nfs/dbraw/zinc/05/52/20/185055220.db2.gz PCJOFXHPTRKLID-CQSZACIVSA-N 1 2 293.370 3.896 50 0 CHAALO Cc1nc(C[NH2+][C@@H](c2cc(F)ccc2F)C2CC2)oc1C ZINC000095987510 185056554 /nfs/dbraw/zinc/05/65/54/185056554.db2.gz WKHBAOTUWOHILU-MRXNPFEDSA-N 1 2 292.329 3.811 50 0 CHAALO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cscn1 ZINC000182693274 189331670 /nfs/dbraw/zinc/33/16/70/189331670.db2.gz PRHMGYIIOQVZFP-ZDUSSCGKSA-N 1 2 294.807 3.800 50 0 CHAALO Cc1noc([C@@H]([NH2+]Cc2ccc(C)c(Cl)c2)C(C)C)n1 ZINC000195443126 189675971 /nfs/dbraw/zinc/67/59/71/189675971.db2.gz GIWMPRCYVRPWJD-AWEZNQCLSA-N 1 2 293.798 3.827 50 0 CHAALO O=C(Nc1ccsc1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000225551038 189757114 /nfs/dbraw/zinc/75/71/14/189757114.db2.gz AWRDZGMZLHECRP-UHFFFAOYSA-N 1 2 298.371 3.637 50 0 CHAALO CCOc1ccc([NH2+]CCC(=O)c2cccs2)cc1 ZINC000000446363 169643041 /nfs/dbraw/zinc/64/30/41/169643041.db2.gz DKVGYCOOGZSUTR-UHFFFAOYSA-N 1 2 275.373 3.832 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)cc1C ZINC000005627990 170121731 /nfs/dbraw/zinc/12/17/31/170121731.db2.gz FMISZQCDQBXCSA-UHFFFAOYSA-N 1 2 293.370 3.600 50 0 CHAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000006323216 170191582 /nfs/dbraw/zinc/19/15/82/170191582.db2.gz RJQFOMCVJOLWOV-UHFFFAOYSA-N 1 2 295.390 3.644 50 0 CHAALO CCn1c(C)cc(C(=O)Cn2c(C)[nH+]c3ccccc32)c1C ZINC000010008791 170394892 /nfs/dbraw/zinc/39/48/92/170394892.db2.gz GEGHVWLIQSKBRE-UHFFFAOYSA-N 1 2 295.386 3.666 50 0 CHAALO CN(C)c1cc(NC(=O)c2ccccc2)c2ccccc2[nH+]1 ZINC000022205392 171372491 /nfs/dbraw/zinc/37/24/91/171372491.db2.gz LWGHHMZYWXSNBP-UHFFFAOYSA-N 1 2 291.354 3.553 50 0 CHAALO Cc1ccc(N)[nH+]c1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000064033450 175690432 /nfs/dbraw/zinc/69/04/32/175690432.db2.gz RZGNTHQZYZRDDB-UHFFFAOYSA-N 1 2 284.359 3.595 50 0 CHAALO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccn[nH]2)s1 ZINC000071907469 176296610 /nfs/dbraw/zinc/29/66/10/176296610.db2.gz DMPBFZFXULIEQR-UHFFFAOYSA-N 1 2 287.363 3.567 50 0 CHAALO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC000077505102 177276349 /nfs/dbraw/zinc/27/63/49/177276349.db2.gz VEHYKGKKGLHWFZ-KRWDZBQOSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cccnc3)nc2c1 ZINC000077505102 177276351 /nfs/dbraw/zinc/27/63/51/177276351.db2.gz VEHYKGKKGLHWFZ-KRWDZBQOSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)[nH]c2c1 ZINC000077505102 177276353 /nfs/dbraw/zinc/27/63/53/177276353.db2.gz VEHYKGKKGLHWFZ-KRWDZBQOSA-N 1 2 292.386 3.603 50 0 CHAALO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)[nH]c2c1 ZINC000077505102 177276355 /nfs/dbraw/zinc/27/63/55/177276355.db2.gz VEHYKGKKGLHWFZ-KRWDZBQOSA-N 1 2 292.386 3.603 50 0 CHAALO C[C@@H]1CSC(Nc2cccc(C(F)(F)F)c2)=[NH+]1 ZINC000004262874 567856465 /nfs/dbraw/zinc/85/64/65/567856465.db2.gz KTRPOKUCUNGELK-SSDOTTSWSA-N 1 2 260.284 3.609 50 0 CHAALO CC[N@H+](Cc1nccs1)Cc1cc(Cl)ccc1OC ZINC000055568932 567894684 /nfs/dbraw/zinc/89/46/84/567894684.db2.gz IIIYJQCQNYOITJ-UHFFFAOYSA-N 1 2 296.823 3.827 50 0 CHAALO CC[N@@H+](Cc1nccs1)Cc1cc(Cl)ccc1OC ZINC000055568932 567894686 /nfs/dbraw/zinc/89/46/86/567894686.db2.gz IIIYJQCQNYOITJ-UHFFFAOYSA-N 1 2 296.823 3.827 50 0 CHAALO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(Cl)c1 ZINC000057992374 567895287 /nfs/dbraw/zinc/89/52/87/567895287.db2.gz GYIYFQWIHPPQGI-LBPRGKRZSA-N 1 2 260.768 3.718 50 0 CHAALO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000057992374 567895289 /nfs/dbraw/zinc/89/52/89/567895289.db2.gz GYIYFQWIHPPQGI-LBPRGKRZSA-N 1 2 260.768 3.718 50 0 CHAALO Cc1ccc(Cl)c(OCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000075105133 566934756 /nfs/dbraw/zinc/93/47/56/566934756.db2.gz JMBZGECYTQFGJB-UHFFFAOYSA-N 1 2 299.761 3.808 50 0 CHAALO C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1ccccn1 ZINC000191177805 566952650 /nfs/dbraw/zinc/95/26/50/566952650.db2.gz MAOZRHSWMRIXSJ-ZDUSSCGKSA-N 1 2 292.386 3.617 50 0 CHAALO Fc1cc2cccnc2c(CNc2cc[nH+]cc2F)c1 ZINC000192150867 566973298 /nfs/dbraw/zinc/97/32/98/566973298.db2.gz MMVUOFAXFOYBOR-UHFFFAOYSA-N 1 2 271.270 3.520 50 0 CHAALO Cc1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1 ZINC000065238796 567003947 /nfs/dbraw/zinc/00/39/47/567003947.db2.gz FMIVUGDFPYBEFI-UHFFFAOYSA-N 1 2 298.411 3.787 50 0 CHAALO Cc1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1 ZINC000065238796 567003955 /nfs/dbraw/zinc/00/39/55/567003955.db2.gz FMIVUGDFPYBEFI-UHFFFAOYSA-N 1 2 298.411 3.787 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000036975527 567010429 /nfs/dbraw/zinc/01/04/29/567010429.db2.gz SGDPLKHNXMFUKV-HNNXBMFYSA-N 1 2 277.799 3.858 50 0 CHAALO CCCc1nc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000065550768 567010392 /nfs/dbraw/zinc/01/03/92/567010392.db2.gz VAWVBLLFMSZQAY-SNVBAGLBSA-N 1 2 292.370 3.870 50 0 CHAALO CCCc1nc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000065550768 567010396 /nfs/dbraw/zinc/01/03/96/567010396.db2.gz VAWVBLLFMSZQAY-SNVBAGLBSA-N 1 2 292.370 3.870 50 0 CHAALO Clc1ccc([C@@H]([NH2+]C2CCCCC2)c2ncon2)cc1 ZINC000095988538 567136751 /nfs/dbraw/zinc/13/67/51/567136751.db2.gz CERNXHONECVQEG-CQSZACIVSA-N 1 2 291.782 3.735 50 0 CHAALO c1csc(-c2cc(N3CCOCC3)c3ccccc3[nH+]2)c1 ZINC000000088015 567817764 /nfs/dbraw/zinc/81/77/64/567817764.db2.gz PAMYOMQUPSCXST-UHFFFAOYSA-N 1 2 296.395 3.800 50 0 CHAALO Fc1ccc(-c2cn3c([nH+]2)Cc2ccccc2C3)cc1 ZINC000000094227 567817948 /nfs/dbraw/zinc/81/79/48/567817948.db2.gz KFWPVVIASLMTQI-UHFFFAOYSA-N 1 2 264.303 3.642 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1cccs1 ZINC000000196192 567822113 /nfs/dbraw/zinc/82/21/13/567822113.db2.gz LCRDMJORNGCEFL-UHFFFAOYSA-N 1 2 257.362 3.730 50 0 CHAALO C[C@@H]1C[NH+]=C(Nc2ccc(Cl)c(Cl)c2)S1 ZINC000003227047 567851943 /nfs/dbraw/zinc/85/19/43/567851943.db2.gz YKMKYRMIBXLAKY-ZCFIWIBFSA-N 1 2 261.177 3.897 50 0 CHAALO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)o1 ZINC000097374025 567859789 /nfs/dbraw/zinc/85/97/89/567859789.db2.gz MXFSXPNYTXAWIL-JTQLQIEISA-N 1 2 274.295 3.719 50 0 CHAALO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000097373863 567859851 /nfs/dbraw/zinc/85/98/51/567859851.db2.gz PFFZVOPRMQAWQT-AWEZNQCLSA-N 1 2 299.399 3.513 50 0 CHAALO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)o1 ZINC000097374024 567859879 /nfs/dbraw/zinc/85/98/79/567859879.db2.gz MXFSXPNYTXAWIL-SNVBAGLBSA-N 1 2 274.295 3.719 50 0 CHAALO c1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)nc1 ZINC000019912922 567879812 /nfs/dbraw/zinc/87/98/12/567879812.db2.gz XRIMFSNDQQKFRO-UHFFFAOYSA-N 1 2 275.355 3.897 50 0 CHAALO Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)s1 ZINC000030643621 567884949 /nfs/dbraw/zinc/88/49/49/567884949.db2.gz YMVIFNRMTMTBAS-INIZCTEOSA-N 1 2 297.427 3.669 50 0 CHAALO C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000055483912 567894531 /nfs/dbraw/zinc/89/45/31/567894531.db2.gz IKSGNXSKFBMJLS-RPVQJOFSSA-N 1 2 265.356 3.668 50 0 CHAALO O=C(CCCCc1ccccc1)Nc1c[nH+]c2n1CCCC2 ZINC000067869013 567900772 /nfs/dbraw/zinc/90/07/72/567900772.db2.gz WWNJOFNMKBLQOT-UHFFFAOYSA-N 1 2 297.402 3.571 50 0 CHAALO Cc1cn(Cc2nc(-c3ccccc3Cl)oc2C)c[nH+]1 ZINC000067910446 567901149 /nfs/dbraw/zinc/90/11/49/567901149.db2.gz LQDHESDGRWNHBQ-UHFFFAOYSA-N 1 2 287.750 3.857 50 0 CHAALO CC1(C)C[NH+]=C(Nc2ccc(OC(F)(F)F)cc2)S1 ZINC000000032701 567904461 /nfs/dbraw/zinc/90/44/61/567904461.db2.gz IJKMUBWMRBFKQX-UHFFFAOYSA-N 1 2 290.310 3.879 50 0 CHAALO C[C@@H](CC[N@H+](C)Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000097217636 567910521 /nfs/dbraw/zinc/91/05/21/567910521.db2.gz GVFXVYQBYAWVBU-AWEZNQCLSA-N 1 2 299.418 3.963 50 0 CHAALO C[C@@H](CC[N@@H+](C)Cc1noc(C2CCC2)n1)c1ccccc1 ZINC000097217636 567910522 /nfs/dbraw/zinc/91/05/22/567910522.db2.gz GVFXVYQBYAWVBU-AWEZNQCLSA-N 1 2 299.418 3.963 50 0 CHAALO Nc1c2c3c(sc2[nH+]c2c1CCCC2)CCCC3 ZINC000000202018 567925191 /nfs/dbraw/zinc/92/51/91/567925191.db2.gz RJEYLKMGHWEFMQ-UHFFFAOYSA-N 1 2 258.390 3.636 50 0 CHAALO c1ccc(-c2cc(N3CCOCC3)[nH+]c3ccccc32)cc1 ZINC000100889086 567939365 /nfs/dbraw/zinc/93/93/65/567939365.db2.gz AJQOTHNDQGQYEG-UHFFFAOYSA-N 1 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ZMUWTIQUCJMTRW-GQCTYLIASA-N 1 2 297.402 3.734 50 0 CHAALO C(=C/c1ccco1)\C[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC000065530558 570244431 /nfs/dbraw/zinc/24/44/31/570244431.db2.gz ZMUWTIQUCJMTRW-GQCTYLIASA-N 1 2 297.402 3.734 50 0 CHAALO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)nc1 ZINC000215197380 570302445 /nfs/dbraw/zinc/30/24/45/570302445.db2.gz SLFGEBBQLKJHFY-HNNXBMFYSA-N 1 2 287.432 3.828 50 0 CHAALO CCc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)nc1 ZINC000215197380 570302447 /nfs/dbraw/zinc/30/24/47/570302447.db2.gz SLFGEBBQLKJHFY-HNNXBMFYSA-N 1 2 287.432 3.828 50 0 CHAALO Cc1nc(NCCc2ccccc2)c2ccccc2[nH+]1 ZINC000070666182 570404406 /nfs/dbraw/zinc/40/44/06/570404406.db2.gz QBGQNIIMQLREEM-UHFFFAOYSA-N 1 2 263.344 3.593 50 0 biogenic CHAALO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc(C)on1 ZINC000092254434 1120197799 /nfs/dbraw/zinc/19/77/99/1120197799.db2.gz MLIVQWQCNSBYNT-UKTHLTGXSA-N 1 2 256.349 3.518 50 0 CHAALO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C)on1 ZINC000092254434 1120197802 /nfs/dbraw/zinc/19/78/02/1120197802.db2.gz MLIVQWQCNSBYNT-UKTHLTGXSA-N 1 2 256.349 3.518 50 0 CHAALO CSCc1cc[nH+]c(NCc2cccs2)c1 ZINC000096482417 230380605 /nfs/dbraw/zinc/38/06/05/230380605.db2.gz XCWUTPLXRHWCGN-UHFFFAOYSA-N 1 2 250.392 3.618 50 0 CHAALO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccco1 ZINC000189185486 230396090 /nfs/dbraw/zinc/39/60/90/230396090.db2.gz ADRSIWGSYDMRLH-CYBMUJFWSA-N 1 2 283.730 3.549 50 0 CHAALO O[C@@H](C[C@@H]1c2ccccc2-c2c[nH+]cn21)C1CCCCC1 ZINC000095616581 185016575 /nfs/dbraw/zinc/01/65/75/185016575.db2.gz YTRRAUACYORZLX-AEFFLSMTSA-N 1 2 282.387 3.784 50 0 investigational CHAALO CCSc1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000095984888 185055252 /nfs/dbraw/zinc/05/52/52/185055252.db2.gz BZNCPYCCEZOTIQ-SNVBAGLBSA-N 1 2 293.461 3.809 50 0 CHAALO CC[C@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 ZINC000095984390 185055383 /nfs/dbraw/zinc/05/53/83/185055383.db2.gz WJZNOUVNHVWRKE-ZANVPECISA-N 1 2 279.771 3.833 50 0 CHAALO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C(C)C)o2)cc1F ZINC000097033038 185155626 /nfs/dbraw/zinc/15/56/26/185155626.db2.gz MBAFPVUSFWHOBQ-LLVKDONJSA-N 1 2 292.354 3.797 50 0 CHAALO CCn1c[nH+]cc1CN(Cc1ccccc1Cl)C1CC1 ZINC000244773751 189911435 /nfs/dbraw/zinc/91/14/35/189911435.db2.gz PFSICTZHPBUAQD-UHFFFAOYSA-N 1 2 289.810 3.721 50 0 CHAALO C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=[NH2+])O1 ZINC000004477042 169970569 /nfs/dbraw/zinc/97/05/69/169970569.db2.gz LALCASFRVNYUKT-ZDUSSCGKSA-N 1 2 251.329 3.759 50 0 CHAALO CN(C)c1ccc(Nc2ccc([NH+](C)C)cc2)cc1 ZINC000004707296 170003037 /nfs/dbraw/zinc/00/30/37/170003037.db2.gz ZPGZNKGKCSYBGK-UHFFFAOYSA-N 1 2 255.365 3.562 50 0 CHAALO c1cn(CCCOc2ccccc2Cc2ccccc2)c[nH+]1 ZINC000004810589 170021560 /nfs/dbraw/zinc/02/15/60/170021560.db2.gz RFSPBQHPQBXJIY-UHFFFAOYSA-N 1 2 292.382 3.943 50 0 CHAALO CC(C)c1[nH]c2ccc(NC(=O)Cc3ccccc3)cc2[nH+]1 ZINC000005847367 170146690 /nfs/dbraw/zinc/14/66/90/170146690.db2.gz ZSDWWPJJPDYXLN-UHFFFAOYSA-N 1 2 293.370 3.868 50 0 CHAALO Cc1cc(OCCCn2cc[nH+]c2)cc(C(C)C)c1 ZINC000006404268 170198810 /nfs/dbraw/zinc/19/88/10/170198810.db2.gz XWTMOXUFUNZXNB-UHFFFAOYSA-N 1 2 258.365 3.784 50 0 CHAALO Cc1ccc(-c2nnc(C[N@@H+](C)Cc3ccccc3)o2)cc1 ZINC000006661589 170223570 /nfs/dbraw/zinc/22/35/70/170223570.db2.gz YVCPHCHEGFJUTP-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1ccc(-c2nnc(C[N@H+](C)Cc3ccccc3)o2)cc1 ZINC000006661589 170223572 /nfs/dbraw/zinc/22/35/72/170223572.db2.gz YVCPHCHEGFJUTP-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO C[C@H]1Cc2ccccc2N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000007738376 170299688 /nfs/dbraw/zinc/29/96/88/170299688.db2.gz ZARFRCIHTURGPR-HNNXBMFYSA-N 1 2 289.382 3.824 50 0 CHAALO CCc1[nH+]c2ccccc2n1CCOc1ccccc1F ZINC000012520505 170492702 /nfs/dbraw/zinc/49/27/02/170492702.db2.gz KZQDBZATKQYNBO-UHFFFAOYSA-N 1 2 284.334 3.817 50 0 CHAALO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)Cc1ccco1 ZINC000038372066 174140997 /nfs/dbraw/zinc/14/09/97/174140997.db2.gz VVVFSNAUWCHYLJ-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)Cc1ccco1 ZINC000038372066 174140999 /nfs/dbraw/zinc/14/09/99/174140999.db2.gz VVVFSNAUWCHYLJ-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C)on1 ZINC000040012125 174182377 /nfs/dbraw/zinc/18/23/77/174182377.db2.gz KEFKSLIQUMOCGK-ZDUSSCGKSA-N 1 2 262.378 3.554 50 0 CHAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C)on1 ZINC000040012125 174182379 /nfs/dbraw/zinc/18/23/79/174182379.db2.gz KEFKSLIQUMOCGK-ZDUSSCGKSA-N 1 2 262.378 3.554 50 0 CHAALO c1cn(-c2ccc(Oc3ncnc4ccccc43)cc2)c[nH+]1 ZINC000040051237 174185067 /nfs/dbraw/zinc/18/50/67/174185067.db2.gz GGNBBANKXXPEAB-UHFFFAOYSA-N 1 2 288.310 3.608 50 0 CHAALO Cc1c(-c2ccccc2)[nH+]cn1CC1(O)CCCCC1 ZINC000065381372 175725112 /nfs/dbraw/zinc/72/51/12/175725112.db2.gz IUCZIEYHLRSQSS-UHFFFAOYSA-N 1 2 270.376 3.554 50 0 CHAALO Cc1ccc[nH+]c1C[C@@H](C)Nc1nccc(C2CCCC2)n1 ZINC000071748227 176258988 /nfs/dbraw/zinc/25/89/88/176258988.db2.gz MIZDUAPPJHOXPW-CQSZACIVSA-N 1 2 296.418 3.881 50 0 CHAALO Cc1ccccc1CSc1[nH+]cc2ccccn21 ZINC000072099296 176315422 /nfs/dbraw/zinc/31/54/22/176315422.db2.gz HJFUQBHUZLUYPO-UHFFFAOYSA-N 1 2 254.358 3.935 50 0 CHAALO Cc1cccc(C[N@H+](C)Cc2cc(-c3ccccc3)no2)n1 ZINC000072163488 176330663 /nfs/dbraw/zinc/33/06/63/176330663.db2.gz MRUXMZCUHNTYHX-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1cccc(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)n1 ZINC000072163488 176330665 /nfs/dbraw/zinc/33/06/65/176330665.db2.gz MRUXMZCUHNTYHX-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1cc(C)cc(-n2ccnc2SCc2c[nH+]cn2C)c1 ZINC000072312949 176368046 /nfs/dbraw/zinc/36/80/46/176368046.db2.gz RUPULTMLQVAKOL-UHFFFAOYSA-N 1 2 298.415 3.515 50 0 CHAALO Cc1ncc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)c(C)n1 ZINC000128591130 527309927 /nfs/dbraw/zinc/30/99/27/527309927.db2.gz IGYPQHFFMIMBLE-JTQLQIEISA-N 1 2 290.436 3.524 50 0 CHAALO COc1cccc(Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000012550120 566849575 /nfs/dbraw/zinc/84/95/75/566849575.db2.gz CFHDNJUOACZZDR-UHFFFAOYSA-N 1 2 266.344 3.710 50 0 CHAALO CCC[C@@H]1[C@H](c2ccco2)[NH2+][C@H](c2ccco2)C[C@]1(C)O ZINC000245261314 566969258 /nfs/dbraw/zinc/96/92/58/566969258.db2.gz KRWCRLSHEPHBQC-GFOFROLCSA-N 1 2 289.375 3.816 50 0 CHAALO Cc1cccc(NC(=O)c2cccn2-c2ccc[nH+]c2C)c1 ZINC000064839256 566993861 /nfs/dbraw/zinc/99/38/61/566993861.db2.gz FGKFVURPMGWMIA-UHFFFAOYSA-N 1 2 291.354 3.741 50 0 CHAALO CC(C)c1noc(C[NH2+][C@H](c2cccs2)C(C)C)n1 ZINC000065554080 567009924 /nfs/dbraw/zinc/00/99/24/567009924.db2.gz CZAMUTVDHNVAAV-ZDUSSCGKSA-N 1 2 279.409 3.741 50 0 CHAALO Cn1c2cccc(Cl)c2[nH+]c1NCc1ccccc1 ZINC000170596734 567011637 /nfs/dbraw/zinc/01/16/37/567011637.db2.gz QWJDCOGWSQONOX-UHFFFAOYSA-N 1 2 271.751 3.839 50 0 CHAALO Fc1cccc(COc2cccc(NCc3[nH]cc[nH+]3)c2)c1 ZINC000089775109 567026095 /nfs/dbraw/zinc/02/60/95/567026095.db2.gz CDTPTMDXMQYOED-UHFFFAOYSA-N 1 2 297.333 3.740 50 0 CHAALO c1cc2c(s1)SCc1ccccc1[C@H]2c1c[nH]c[nH+]1 ZINC000138105496 567092699 /nfs/dbraw/zinc/09/26/99/567092699.db2.gz MZOISKJAKIFWPQ-ZIAGYGMSSA-N 1 2 284.409 3.967 50 0 CHAALO C[C@@H](c1cccs1)[N@H+](C)Cc1noc(-c2ccoc2)n1 ZINC000069377034 567200230 /nfs/dbraw/zinc/20/02/30/567200230.db2.gz FWPFQPSGPDOSOW-JTQLQIEISA-N 1 2 289.360 3.584 50 0 CHAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1noc(-c2ccoc2)n1 ZINC000069377034 567200232 /nfs/dbraw/zinc/20/02/32/567200232.db2.gz FWPFQPSGPDOSOW-JTQLQIEISA-N 1 2 289.360 3.584 50 0 CHAALO CCCc1[nH+]cc([C@@H](O)c2cccc3ccccc32)n1C ZINC000000237866 567822752 /nfs/dbraw/zinc/82/27/52/567822752.db2.gz RMDUQNUQMHVRKQ-SFHVURJKSA-N 1 2 280.371 3.608 50 0 CHAALO CC(C)c1[nH+]cc([C@H](O)c2ccc(C(C)C)cc2)n1C ZINC000000373008 567827663 /nfs/dbraw/zinc/82/76/63/567827663.db2.gz QIBIUBZZLZHBID-MRXNPFEDSA-N 1 2 272.392 3.749 50 0 CHAALO C(c1nc(C2CC2)nn1C1CCCCC1)[NH+]1CCCCC1 ZINC000584902897 567844032 /nfs/dbraw/zinc/84/40/32/567844032.db2.gz GTHZBXSSEMUCCZ-UHFFFAOYSA-N 1 2 288.439 3.647 50 0 CHAALO Cc1sc2nc(C[NH+]3CCCC3)nc(Cl)c2c1C ZINC000003335147 567852490 /nfs/dbraw/zinc/85/24/90/567852490.db2.gz OQXIHVZAXNRASY-UHFFFAOYSA-N 1 2 281.812 3.557 50 0 CHAALO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000013511523 567866467 /nfs/dbraw/zinc/86/64/67/567866467.db2.gz KRIROHZWSALYAG-MHGIMSBQSA-N 1 2 279.383 3.914 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)CSc3ccccc3)cc2[nH+]1 ZINC000018039328 567876169 /nfs/dbraw/zinc/87/61/69/567876169.db2.gz XZUQNTONMBPQSJ-UHFFFAOYSA-N 1 2 297.383 3.602 50 0 CHAALO CC(C)c1nnc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)o1 ZINC000069869492 567881281 /nfs/dbraw/zinc/88/12/81/567881281.db2.gz CYCRNLIOAMEUMX-UHFFFAOYSA-N 1 2 293.798 3.871 50 0 CHAALO CC1=Nc2ccccc2C1=[NH+]Nc1ccccc1F ZINC000254907379 567881373 /nfs/dbraw/zinc/88/13/73/567881373.db2.gz YZNKEBRQAYINTM-UHFFFAOYSA-N 1 2 253.280 3.748 50 0 CHAALO Cc1cccnc1C[N@H+](C)Cc1ccc(Cl)cc1F ZINC000065373610 567898542 /nfs/dbraw/zinc/89/85/42/567898542.db2.gz SFCGXTMCNJZRHV-UHFFFAOYSA-N 1 2 278.758 3.815 50 0 CHAALO Cc1cccnc1C[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000065373610 567898543 /nfs/dbraw/zinc/89/85/43/567898543.db2.gz SFCGXTMCNJZRHV-UHFFFAOYSA-N 1 2 278.758 3.815 50 0 CHAALO Cc1cc(NCCc2ccncc2)nc(-c2ccccc2)[nH+]1 ZINC000065387020 567898704 /nfs/dbraw/zinc/89/87/04/567898704.db2.gz FHNGAFCSIKETPS-UHFFFAOYSA-N 1 2 290.370 3.502 50 0 CHAALO C/C=C(\C)c1c(-c2ccccc2)ncn1CCn1cc[nH+]c1 ZINC000065408407 567899204 /nfs/dbraw/zinc/89/92/04/567899204.db2.gz DODCVDDSIIZUQA-CRKCGEKBSA-N 1 2 292.386 3.870 50 0 CHAALO Cc1ccc2[nH]c(C[N@@H+](C)[C@@H](C)c3ccco3)nc2c1C ZINC000067559955 567900113 /nfs/dbraw/zinc/90/01/13/567900113.db2.gz VMYGSJDNNLWONK-ZDUSSCGKSA-N 1 2 283.375 3.966 50 0 CHAALO Cc1ccc2[nH]c(C[N@H+](C)[C@@H](C)c3ccco3)nc2c1C ZINC000067559955 567900115 /nfs/dbraw/zinc/90/01/15/567900115.db2.gz VMYGSJDNNLWONK-ZDUSSCGKSA-N 1 2 283.375 3.966 50 0 CHAALO CSc1ccc(-c2[nH+]ccn2C[C@@H]2CCCOC2)cc1 ZINC000071754681 567901761 /nfs/dbraw/zinc/90/17/61/567901761.db2.gz BPTZYOCOAVBIAA-ZDUSSCGKSA-N 1 2 288.416 3.699 50 0 CHAALO CCc1[nH+]c2ccccc2n1CCc1ccccc1 ZINC000000452354 567936319 /nfs/dbraw/zinc/93/63/19/567936319.db2.gz OXROMPOQODQDGU-UHFFFAOYSA-N 1 2 250.345 3.841 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000120508203 567942786 /nfs/dbraw/zinc/94/27/86/567942786.db2.gz QTGRWTKZRXHEST-SWLSCSKDSA-N 1 2 299.374 3.988 50 0 CHAALO CSc1cccc(C[N@H+](C)Cc2nccn2C(C)C)c1 ZINC000215565359 567947204 /nfs/dbraw/zinc/94/72/04/567947204.db2.gz WKOVBOGWKKDPPP-UHFFFAOYSA-N 1 2 289.448 3.818 50 0 CHAALO CSc1cccc(C[N@@H+](C)Cc2nccn2C(C)C)c1 ZINC000215565359 567947205 /nfs/dbraw/zinc/94/72/05/567947205.db2.gz WKOVBOGWKKDPPP-UHFFFAOYSA-N 1 2 289.448 3.818 50 0 CHAALO C[C@H](c1ccon1)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000216172673 567947468 /nfs/dbraw/zinc/94/74/68/567947468.db2.gz NXKWYOHCOSJUER-GFCCVEGCSA-N 1 2 283.331 3.523 50 0 CHAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000216172673 567947469 /nfs/dbraw/zinc/94/74/69/567947469.db2.gz NXKWYOHCOSJUER-GFCCVEGCSA-N 1 2 283.331 3.523 50 0 CHAALO C[C@H](c1nc(C2CC2)no1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000051454005 570301842 /nfs/dbraw/zinc/30/18/42/570301842.db2.gz UJWNTHVLTRLMTA-SNVBAGLBSA-N 1 2 291.782 3.793 50 0 CHAALO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000051454005 570301845 /nfs/dbraw/zinc/30/18/45/570301845.db2.gz UJWNTHVLTRLMTA-SNVBAGLBSA-N 1 2 291.782 3.793 50 0 CHAALO COc1cccc([C@@H]2CC[N@H+]2Cc2ccnc(C(C)C)n2)c1 ZINC000215436924 570302759 /nfs/dbraw/zinc/30/27/59/570302759.db2.gz YMIDCMWSIDDWOF-KRWDZBQOSA-N 1 2 297.402 3.556 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000037119208 570362505 /nfs/dbraw/zinc/36/25/05/570362505.db2.gz RHYQFWXQSWYBTH-HNNXBMFYSA-N 1 2 275.371 3.734 50 0 CHAALO CC[N@H+](Cc1csc(C)n1)[C@@H](C)c1cccc(O)c1 ZINC000079020188 570395978 /nfs/dbraw/zinc/39/59/78/570395978.db2.gz UCNSEHXGZHNSQW-NSHDSACASA-N 1 2 276.405 3.740 50 0 CHAALO CC[N@@H+](Cc1csc(C)n1)[C@@H](C)c1cccc(O)c1 ZINC000079020188 570395981 /nfs/dbraw/zinc/39/59/81/570395981.db2.gz UCNSEHXGZHNSQW-NSHDSACASA-N 1 2 276.405 3.740 50 0 CHAALO C[C@H]1CCN2C(c3ccc(Cl)cc3)=CSC2=[NH+]1 ZINC000003354337 570399059 /nfs/dbraw/zinc/39/90/59/570399059.db2.gz XTNLAKMNNFQJAZ-VIFPVBQESA-N 1 2 264.781 3.835 50 0 CHAALO Cc1noc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069738824 570402104 /nfs/dbraw/zinc/40/21/04/570402104.db2.gz KFGKWCLWFAHQQA-ZUZCIYMTSA-N 1 2 289.354 3.709 50 0 CHAALO Cc1cccc(C)c1OCCCCCn1cc[nH+]c1 ZINC000023115408 1119261586 /nfs/dbraw/zinc/26/15/86/1119261586.db2.gz NOMILHVCNZYXDB-UHFFFAOYSA-N 1 2 258.365 3.749 50 0 CHAALO Cc1[nH]c2ccc(OC(=O)[C@@H]3CCCC(F)(F)C3)cc2[nH+]1 ZINC000585086536 1131278965 /nfs/dbraw/zinc/27/89/65/1131278965.db2.gz DZKDOHJXAQPYJR-SNVBAGLBSA-N 1 2 294.301 3.602 50 0 CHAALO Cc1[nH]c([C@H]2CCCN2Cc2ccccc2F)[nH+]c1C ZINC000952994156 1132018276 /nfs/dbraw/zinc/01/82/76/1132018276.db2.gz MSZFBCJKULNKAL-OAHLLOKOSA-N 1 2 273.355 3.503 50 0 CHAALO Cc1c[nH+]cc(NCc2ccccc2Br)c1 ZINC000119627110 186841350 /nfs/dbraw/zinc/84/13/50/186841350.db2.gz WFJUZOZCYZIQNV-UHFFFAOYSA-N 1 2 277.165 3.765 50 0 CHAALO COc1ccc2c(c1)/C(=C\C=C1C=C[NH+](C)C=C1)C=N2 ZINC000334157086 206119340 /nfs/dbraw/zinc/11/93/40/206119340.db2.gz DTOJGWRGDGMHBF-CPSFFCFKSA-N 1 2 264.328 3.694 50 0 CHAALO CCC[C@@H]1[C@H](c2ccco2)[NH2+][C@@H](c2ccco2)C[C@@]1(C)O ZINC000006576845 170215283 /nfs/dbraw/zinc/21/52/83/170215283.db2.gz KRWCRLSHEPHBQC-BQGCOEIASA-N 1 2 289.375 3.816 50 0 CHAALO C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)c2ccccc21 ZINC000071797101 176264810 /nfs/dbraw/zinc/26/48/10/176264810.db2.gz KOQTWHVCKOZTLL-NSHDSACASA-N 1 2 295.308 3.569 50 0 CHAALO C[C@@H]1CCC[C@@H](N2CNc3[nH+]c4ccccc4n3C2)[C@H]1C ZINC000239331215 566825041 /nfs/dbraw/zinc/82/50/41/566825041.db2.gz KHXBHMXDHPEFQC-VNHYZAJKSA-N 1 2 284.407 3.504 50 0 CHAALO Cc1[nH+]cccc1-n1cccc1C(=O)NC1CCCCCC1 ZINC000064839201 566994335 /nfs/dbraw/zinc/99/43/35/566994335.db2.gz CNZRJSYLNRDUSQ-UHFFFAOYSA-N 1 2 297.402 3.633 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1ccc(F)cc1 ZINC000079498340 567122553 /nfs/dbraw/zinc/12/25/53/567122553.db2.gz NLZQILNSIMSWMK-UHFFFAOYSA-N 1 2 295.317 3.832 50 0 CHAALO COc1ccc([NH2+]CC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000002510372 567145643 /nfs/dbraw/zinc/14/56/43/567145643.db2.gz BJXLDKJEHCTORC-MRXNPFEDSA-N 1 2 291.778 3.884 50 0 CHAALO CC(C)c1nc(C[N@H+](C)Cc2cnc3ccccc3c2)co1 ZINC000670468761 567195548 /nfs/dbraw/zinc/19/55/48/567195548.db2.gz BQWPRPOCAGBNEP-UHFFFAOYSA-N 1 2 295.386 3.978 50 0 CHAALO CC(C)c1nc(C[N@@H+](C)Cc2cnc3ccccc3c2)co1 ZINC000670468761 567195553 /nfs/dbraw/zinc/19/55/53/567195553.db2.gz BQWPRPOCAGBNEP-UHFFFAOYSA-N 1 2 295.386 3.978 50 0 CHAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccco3)co2)cc1 ZINC000042652064 567206052 /nfs/dbraw/zinc/20/60/52/567206052.db2.gz QHYROITYCYETBN-UHFFFAOYSA-N 1 2 298.342 3.575 50 0 CHAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccco3)co2)cc1 ZINC000042652064 567206065 /nfs/dbraw/zinc/20/60/65/567206065.db2.gz QHYROITYCYETBN-UHFFFAOYSA-N 1 2 298.342 3.575 50 0 CHAALO Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)c[nH+]c12 ZINC000000168700 567821014 /nfs/dbraw/zinc/82/10/14/567821014.db2.gz YKPNFHOHVDXVLE-UHFFFAOYSA-N 1 2 278.142 3.890 50 0 CHAALO CCCc1[nH+]cc([C@@H](O)c2ccc(C(C)C)cc2)n1C ZINC000000373000 567827721 /nfs/dbraw/zinc/82/77/21/567827721.db2.gz PQHNLRVFNADHNG-KRWDZBQOSA-N 1 2 272.392 3.578 50 0 CHAALO Cc1[nH+]c2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000000550061 567833207 /nfs/dbraw/zinc/83/32/07/567833207.db2.gz GNKUAHZWKXWCJQ-UHFFFAOYSA-N 1 2 299.761 3.787 50 0 CHAALO c1nn(-c2ccccc2)c2nc[nH+]c(NC3CCCCC3)c12 ZINC000000552623 567833410 /nfs/dbraw/zinc/83/34/10/567833410.db2.gz CSCOVVWVKITOIE-UHFFFAOYSA-N 1 2 293.374 3.560 50 0 CHAALO Cc1cnc(C[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000097374231 567859915 /nfs/dbraw/zinc/85/99/15/567859915.db2.gz HUIOFRISBMCTEE-MRVPVSSYSA-N 1 2 256.758 3.549 50 0 CHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)c1ccc(Cl)cc1 ZINC000015554697 567871071 /nfs/dbraw/zinc/87/10/71/567871071.db2.gz GCTHKGNOFWEDRP-INIZCTEOSA-N 1 2 286.762 3.732 50 0 CHAALO Brc1ccccc1Oc1cc[nH+]cc1 ZINC000019517331 567878002 /nfs/dbraw/zinc/87/80/02/567878002.db2.gz LEYSHVVIBUCHMO-UHFFFAOYSA-N 1 2 250.095 3.636 50 0 CHAALO CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(=O)C2 ZINC000019796061 567879373 /nfs/dbraw/zinc/87/93/73/567879373.db2.gz WYJAPUKIYAZSEM-MOPGFXCFSA-N 1 2 294.398 3.775 50 0 biogenic,in-man CHAALO CC[C@@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(=O)C2 ZINC000019796061 567879374 /nfs/dbraw/zinc/87/93/74/567879374.db2.gz WYJAPUKIYAZSEM-MOPGFXCFSA-N 1 2 294.398 3.775 50 0 biogenic,in-man CHAALO c1ccc(Cn2c3ccccc3[nH+]c2N2CCCC2)cc1 ZINC000030822779 567884667 /nfs/dbraw/zinc/88/46/67/567884667.db2.gz VWYOHILVMQLLPB-UHFFFAOYSA-N 1 2 277.371 3.685 50 0 CHAALO CCC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960697 567887154 /nfs/dbraw/zinc/88/71/54/567887154.db2.gz JIPWWYCDVBTNFI-UHFFFAOYSA-N 1 2 293.370 3.697 50 0 CHAALO Cc1ccc2cc(C)c(NCc3ccncc3)[nH+]c2c1 ZINC000004797639 567888411 /nfs/dbraw/zinc/88/84/11/567888411.db2.gz JNVKVAHUOLPBIX-UHFFFAOYSA-N 1 2 263.344 3.859 50 0 CHAALO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000058407700 567895834 /nfs/dbraw/zinc/89/58/34/567895834.db2.gz XFGFPZMWGGVEHF-ZDUSSCGKSA-N 1 2 273.380 3.637 50 0 CHAALO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000058407700 567895835 /nfs/dbraw/zinc/89/58/35/567895835.db2.gz XFGFPZMWGGVEHF-ZDUSSCGKSA-N 1 2 273.380 3.637 50 0 CHAALO CC(C)n1cc[nH+]c1-c1ccc(OC(F)F)cc1 ZINC000065395552 567899004 /nfs/dbraw/zinc/89/90/04/567899004.db2.gz CGYHRZAVLFHCJJ-UHFFFAOYSA-N 1 2 252.264 3.732 50 0 CHAALO [NH2+]=C1Nc2ccc(Cl)cc2[C@]1(O)c1ccccc1Cl ZINC000071772921 567902068 /nfs/dbraw/zinc/90/20/68/567902068.db2.gz OLOMPNZBVUCPAA-CQSZACIVSA-N 1 2 293.153 3.632 50 0 CHAALO Cc1[nH+]cc2c(c1-c1noc(-c3ccccc3)n1)CCC2 ZINC000072447038 567902729 /nfs/dbraw/zinc/90/27/29/567902729.db2.gz VIGNIUDUSCYKKY-UHFFFAOYSA-N 1 2 277.327 3.596 50 0 CHAALO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000097111321 567904576 /nfs/dbraw/zinc/90/45/76/567904576.db2.gz LAMSYKPRLCFTTC-ZDUSSCGKSA-N 1 2 298.390 3.531 50 0 CHAALO C[C@@H]1C[NH+]=C(Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000000089643 567908741 /nfs/dbraw/zinc/90/87/41/567908741.db2.gz YAZHGLWPZPDNGA-SSDOTTSWSA-N 1 2 292.738 3.758 50 0 CHAALO CCOc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000255836 567925754 /nfs/dbraw/zinc/92/57/54/567925754.db2.gz NNAQVPUEPHRSKJ-UHFFFAOYSA-N 1 2 252.317 3.552 50 0 CHAALO CCc1[nH+]c2ccccc2n1CCOc1ccccc1 ZINC000000291644 567936033 /nfs/dbraw/zinc/93/60/33/567936033.db2.gz SSGRTKNGAZQCBN-UHFFFAOYSA-N 1 2 266.344 3.678 50 0 CHAALO COc1ccc(F)c(F)c1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000216437192 567947574 /nfs/dbraw/zinc/94/75/74/567947574.db2.gz GLDZBODHZPTWDR-NSHDSACASA-N 1 2 292.329 3.561 50 0 CHAALO COc1ccc(F)c(F)c1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000216437192 567947575 /nfs/dbraw/zinc/94/75/75/567947575.db2.gz GLDZBODHZPTWDR-NSHDSACASA-N 1 2 292.329 3.561 50 0 CHAALO CCc1c[nH+]c(C)nc1N[C@@H](c1ccccn1)C(C)C ZINC000065529969 570244404 /nfs/dbraw/zinc/24/44/04/570244404.db2.gz QTILIVVFKRHIBS-OAHLLOKOSA-N 1 2 270.380 3.552 50 0 CHAALO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)nc1 ZINC000215197330 570302319 /nfs/dbraw/zinc/30/23/19/570302319.db2.gz SLFGEBBQLKJHFY-OAHLLOKOSA-N 1 2 287.432 3.828 50 0 CHAALO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)nc1 ZINC000215197330 570302320 /nfs/dbraw/zinc/30/23/20/570302320.db2.gz SLFGEBBQLKJHFY-OAHLLOKOSA-N 1 2 287.432 3.828 50 0 CHAALO C[C@@H]1c2cc(F)ccc2CC[N@H+]1Cc1cc(C2CC2)on1 ZINC000244817198 570321056 /nfs/dbraw/zinc/32/10/56/570321056.db2.gz SVXVIVKFBGANCH-LLVKDONJSA-N 1 2 286.350 3.810 50 0 CHAALO C[C@@H]1c2cc(F)ccc2CC[N@@H+]1Cc1cc(C2CC2)on1 ZINC000244817198 570321057 /nfs/dbraw/zinc/32/10/57/570321057.db2.gz SVXVIVKFBGANCH-LLVKDONJSA-N 1 2 286.350 3.810 50 0 CHAALO CC(C)c1noc(C[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000065606543 570362568 /nfs/dbraw/zinc/36/25/68/570362568.db2.gz MJEKGRUNTSSWHS-SNVBAGLBSA-N 1 2 279.771 3.697 50 0 CHAALO CC(C)c1noc([C@H](C)[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000952966906 614341571 /nfs/dbraw/zinc/34/15/71/614341571.db2.gz KTNZLUHCWRNEPW-NSHDSACASA-N 1 2 284.363 3.525 50 0 CHAALO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000042356306 1117834934 /nfs/dbraw/zinc/83/49/34/1117834934.db2.gz PSMVXANUAOIITF-LLVKDONJSA-N 1 2 277.393 3.592 50 0 CHAALO CC(C)c1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000042356306 1117834939 /nfs/dbraw/zinc/83/49/39/1117834939.db2.gz PSMVXANUAOIITF-LLVKDONJSA-N 1 2 277.393 3.592 50 0 CHAALO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000052075237 1121644434 /nfs/dbraw/zinc/64/44/34/1121644434.db2.gz YTDHHXAFSRQOMF-SNVBAGLBSA-N 1 2 280.318 3.763 50 0 CHAALO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000052075237 1121644437 /nfs/dbraw/zinc/64/44/37/1121644437.db2.gz YTDHHXAFSRQOMF-SNVBAGLBSA-N 1 2 280.318 3.763 50 0 CHAALO Clc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000096456913 230377671 /nfs/dbraw/zinc/37/76/71/230377671.db2.gz NJPBAZCSZXJAAI-UHFFFAOYSA-N 1 2 298.777 3.592 50 0 CHAALO c1nnc([C@@H]([NH2+]C2CCCCCCC2)c2ccccc2)[nH]1 ZINC000095940858 185036486 /nfs/dbraw/zinc/03/64/86/185036486.db2.gz AUCQOMSNKYSNHZ-INIZCTEOSA-N 1 2 284.407 3.597 50 0 CHAALO Cc1cnc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)o1 ZINC000095985744 185054975 /nfs/dbraw/zinc/05/49/75/185054975.db2.gz PCJOFXHPTRKLID-AWEZNQCLSA-N 1 2 293.370 3.896 50 0 CHAALO C[C@H](Nc1ccc(-n2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000095990582 185057242 /nfs/dbraw/zinc/05/72/42/185057242.db2.gz XTZIDRMYYNNJBP-LBPRGKRZSA-N 1 2 282.322 3.580 50 0 CHAALO Cc1cc(OCc2noc(C3CC3)n2)c2cccc(C)c2[nH+]1 ZINC000095992747 185059295 /nfs/dbraw/zinc/05/92/95/185059295.db2.gz MIRRGRFRHSYPMH-UHFFFAOYSA-N 1 2 295.342 3.691 50 0 CHAALO CC(=O)c1cc(C[N@H+](Cc2ccncc2)C2CC2)cs1 ZINC000097642002 185643676 /nfs/dbraw/zinc/64/36/76/185643676.db2.gz FHZAARRLGUDWDN-UHFFFAOYSA-N 1 2 286.400 3.510 50 0 CHAALO CC(=O)c1cc(C[N@@H+](Cc2ccncc2)C2CC2)cs1 ZINC000097642002 185643678 /nfs/dbraw/zinc/64/36/78/185643678.db2.gz FHZAARRLGUDWDN-UHFFFAOYSA-N 1 2 286.400 3.510 50 0 CHAALO C[C@@H](Cc1[nH]c2ccccc2[nH+]1)c1nc2ccccc2[nH]1 ZINC000005580944 170115822 /nfs/dbraw/zinc/11/58/22/170115822.db2.gz BJEYLKDTFXEJTP-NSHDSACASA-N 1 2 276.343 3.785 50 0 CHAALO Cc1nc2scc(-c3cccs3)c2c(-n2cc[nH+]c2)n1 ZINC000007989220 170311983 /nfs/dbraw/zinc/31/19/83/170311983.db2.gz VWTYMLAFLKPSHR-UHFFFAOYSA-N 1 2 298.396 3.914 50 0 CHAALO Fc1ccc(-c2csc3ncnc(-n4cc[nH+]c4)c23)cc1 ZINC000008134792 170320541 /nfs/dbraw/zinc/32/05/41/170320541.db2.gz LYOLSDPRUXVEPY-UHFFFAOYSA-N 1 2 296.330 3.683 50 0 CHAALO CC(C)c1noc(Cn2c3ccccc3[nH+]c2C(C)C)n1 ZINC000020535498 171241242 /nfs/dbraw/zinc/24/12/42/171241242.db2.gz FWSUBVQHWBCPSA-UHFFFAOYSA-N 1 2 284.363 3.714 50 0 CHAALO CC(C)[C@@H](CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020573391 171255872 /nfs/dbraw/zinc/25/58/72/171255872.db2.gz HOSQHUKNCZIYJP-QGZVFWFLSA-N 1 2 294.870 3.717 50 0 CHAALO CC[N@H+](Cc1noc(CC(C)C)n1)Cc1ccccc1C ZINC000045915380 175386406 /nfs/dbraw/zinc/38/64/06/175386406.db2.gz DSIMZBOOTAVXMO-UHFFFAOYSA-N 1 2 287.407 3.599 50 0 CHAALO CC[N@@H+](Cc1noc(CC(C)C)n1)Cc1ccccc1C ZINC000045915380 175386407 /nfs/dbraw/zinc/38/64/07/175386407.db2.gz DSIMZBOOTAVXMO-UHFFFAOYSA-N 1 2 287.407 3.599 50 0 CHAALO c1coc(Cn2c[nH+]c(-c3ccccc3)c2[C@@H]2CCOC2)c1 ZINC000065508325 175745790 /nfs/dbraw/zinc/74/57/90/175745790.db2.gz IJSNUVJASSKTMV-OAHLLOKOSA-N 1 2 294.354 3.695 50 0 CHAALO Cc1ccc(C)c(CSc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000070688614 176001630 /nfs/dbraw/zinc/00/16/30/176001630.db2.gz VJYSVYAYHFFTCV-UHFFFAOYSA-N 1 2 296.399 3.571 50 0 CHAALO C[C@@H](c1[nH+]ccn1CCc1ccncc1)c1ccccc1 ZINC000071404053 176155214 /nfs/dbraw/zinc/15/52/14/176155214.db2.gz YFJHEXWKQMNZPS-OAHLLOKOSA-N 1 2 277.371 3.673 50 0 CHAALO COc1ccc(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000071802063 176266099 /nfs/dbraw/zinc/26/60/99/176266099.db2.gz ZUMQAUOZJRPUFP-UHFFFAOYSA-N 1 2 288.391 3.613 50 0 CHAALO COc1ccc(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000071802063 176266101 /nfs/dbraw/zinc/26/61/01/176266101.db2.gz ZUMQAUOZJRPUFP-UHFFFAOYSA-N 1 2 288.391 3.613 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000071837236 176273933 /nfs/dbraw/zinc/27/39/33/176273933.db2.gz RCXSZBZXPJCSBY-KRWDZBQOSA-N 1 2 269.392 3.739 50 0 CHAALO C[C@@H](c1[nH+]ccn1Cc1ccc(O)cc1)c1ccccc1 ZINC000072411721 176399057 /nfs/dbraw/zinc/39/90/57/176399057.db2.gz UIFNFFASTATTEJ-CQSZACIVSA-N 1 2 278.355 3.789 50 0 CHAALO Cc1nc(C[N@@H+]2CCc3ccc(F)cc3[C@H]2C)oc1C ZINC000071909019 327105973 /nfs/dbraw/zinc/10/59/73/327105973.db2.gz HIFMUUDGAGLYRZ-LLVKDONJSA-N 1 2 274.339 3.550 50 0 CHAALO Cc1nc(C[N@H+]2CCc3ccc(F)cc3[C@H]2C)oc1C ZINC000071909019 327105974 /nfs/dbraw/zinc/10/59/74/327105974.db2.gz HIFMUUDGAGLYRZ-LLVKDONJSA-N 1 2 274.339 3.550 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000121356367 526240244 /nfs/dbraw/zinc/24/02/44/526240244.db2.gz SAYRWBXPJYYGRE-INIZCTEOSA-N 1 2 295.386 3.934 50 0 CHAALO CC[N@H+](Cc1ccccn1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000096486770 528849906 /nfs/dbraw/zinc/84/99/06/528849906.db2.gz REBLASZHHJTRLC-ZDUSSCGKSA-N 1 2 287.407 3.950 50 0 CHAALO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000096486770 528849912 /nfs/dbraw/zinc/84/99/12/528849912.db2.gz REBLASZHHJTRLC-ZDUSSCGKSA-N 1 2 287.407 3.950 50 0 CHAALO O=C(CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000075250464 566938233 /nfs/dbraw/zinc/93/82/33/566938233.db2.gz BIAWFCWGWPFGSB-UHFFFAOYSA-N 1 2 262.740 3.590 50 0 CHAALO Cc1cn2c(cccc2-c2cnn(CCC(C)C)c2)[nH+]1 ZINC000426479816 566988964 /nfs/dbraw/zinc/98/89/64/566988964.db2.gz UJANODZBTHRRBM-UHFFFAOYSA-N 1 2 268.364 3.552 50 0 CHAALO Cc1nc(C[N@@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C ZINC000095455785 567134032 /nfs/dbraw/zinc/13/40/32/567134032.db2.gz HTCQZYJMNAHINT-JQWIXIFHSA-N 1 2 288.366 3.938 50 0 CHAALO Cc1nc(C[N@H+]2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C ZINC000095455785 567134042 /nfs/dbraw/zinc/13/40/42/567134042.db2.gz HTCQZYJMNAHINT-JQWIXIFHSA-N 1 2 288.366 3.938 50 0 CHAALO COc1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)nc1 ZINC000095462700 567134465 /nfs/dbraw/zinc/13/44/65/567134465.db2.gz RKAATZIHUULPCQ-NSHDSACASA-N 1 2 292.329 3.561 50 0 CHAALO COc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)nc1 ZINC000095462700 567134468 /nfs/dbraw/zinc/13/44/68/567134468.db2.gz RKAATZIHUULPCQ-NSHDSACASA-N 1 2 292.329 3.561 50 0 CHAALO Cc1c[nH+]cc(N[C@@H](C)CC(=O)Nc2ccccc2C)c1 ZINC000097038330 567143896 /nfs/dbraw/zinc/14/38/96/567143896.db2.gz HXKJAGBHCKPJBB-AWEZNQCLSA-N 1 2 283.375 3.528 50 0 CHAALO C[C@H]1CCc2c([nH+]c3sc4c(c3c2N)CCCC4)C1 ZINC000003213760 567163420 /nfs/dbraw/zinc/16/34/20/567163420.db2.gz NHXKBWDWRQKPLQ-VIFPVBQESA-N 1 2 272.417 3.882 50 0 CHAALO CCC[C@@H]1[C@H](c2ccco2)[NH2+][C@H](c2ccco2)C[C@@]1(C)O ZINC000004301520 567192150 /nfs/dbraw/zinc/19/21/50/567192150.db2.gz KRWCRLSHEPHBQC-DLTLXFJOSA-N 1 2 289.375 3.816 50 0 CHAALO CC(C)(C)c1cc(Cl)ccc1OCCn1cc[nH+]c1 ZINC000000235598 567822613 /nfs/dbraw/zinc/82/26/13/567822613.db2.gz MMRCPWNFCVKIEK-UHFFFAOYSA-N 1 2 278.783 3.913 50 0 CHAALO Nc1ccc2[nH]c(-c3ccc(Br)cc3)[nH+]c2c1 ZINC000000266054 567823144 /nfs/dbraw/zinc/82/31/44/567823144.db2.gz PARXWVITUBCUEZ-UHFFFAOYSA-N 1 2 288.148 3.575 50 0 CHAALO Cc1[nH+]c2cc(NC(=O)Nc3ccc(C)cc3)ccc2n1C ZINC000000470728 567831850 /nfs/dbraw/zinc/83/18/50/567831850.db2.gz ZLWDWQUYDZASPY-UHFFFAOYSA-N 1 2 294.358 3.834 50 0 CHAALO Cc1ccn2cc(CSc3ccccc3N)[nH+]c2c1 ZINC000001429167 567837327 /nfs/dbraw/zinc/83/73/27/567837327.db2.gz NQKWSEYPMQDGSE-UHFFFAOYSA-N 1 2 269.373 3.517 50 0 CHAALO [NH2+]=C1c2ccccc2CN1c1ccccc1Br ZINC000004116975 567855465 /nfs/dbraw/zinc/85/54/65/567855465.db2.gz NLKAKCOMMNKCMO-UHFFFAOYSA-N 1 2 287.160 3.795 50 0 CHAALO FC(F)n1ccnc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186944522 567859260 /nfs/dbraw/zinc/85/92/60/567859260.db2.gz CMMAVUCRHZSFGO-UHFFFAOYSA-N 1 2 297.374 3.719 50 0 CHAALO Clc1ccccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000055543063 567894285 /nfs/dbraw/zinc/89/42/85/567894285.db2.gz MDWLUTITDKNSMR-UHFFFAOYSA-N 1 2 292.835 3.724 50 0 CHAALO C[C@H](c1cnn(C)c1)n1c[nH+]c(-c2ccccc2)c1C1CC1 ZINC000065406296 567899093 /nfs/dbraw/zinc/89/90/93/567899093.db2.gz YPCSFGKTMCGLKF-CYBMUJFWSA-N 1 2 292.386 3.770 50 0 CHAALO Cc1ccccc1-c1cccc(-c2[nH+]ccn2CCO)c1 ZINC000067490900 567900061 /nfs/dbraw/zinc/90/00/61/567900061.db2.gz GCWOPWVMKIATBR-UHFFFAOYSA-N 1 2 278.355 3.518 50 0 CHAALO c1cn(-c2cccc(-c3cscn3)c2)c(C2CC2)[nH+]1 ZINC000067490876 567900148 /nfs/dbraw/zinc/90/01/48/567900148.db2.gz RIRAXEBUHKYQFY-UHFFFAOYSA-N 1 2 267.357 3.873 50 0 CHAALO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)co1 ZINC000072431861 567903735 /nfs/dbraw/zinc/90/37/35/567903735.db2.gz YHDAVQLVUQCPKV-MRXNPFEDSA-N 1 2 274.339 3.849 50 0 CHAALO Cc1nc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)co1 ZINC000072431861 567903737 /nfs/dbraw/zinc/90/37/37/567903737.db2.gz YHDAVQLVUQCPKV-MRXNPFEDSA-N 1 2 274.339 3.849 50 0 CHAALO Cc1cccnc1C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000097080442 567903939 /nfs/dbraw/zinc/90/39/39/567903939.db2.gz LAFQDXPNEGGWHA-UHFFFAOYSA-N 1 2 293.370 3.580 50 0 CHAALO Cc1cccnc1C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000097080442 567903940 /nfs/dbraw/zinc/90/39/40/567903940.db2.gz LAFQDXPNEGGWHA-UHFFFAOYSA-N 1 2 293.370 3.580 50 0 CHAALO CC(C)c1nc(CCn2cc[nH+]c2-c2ccoc2)cs1 ZINC000077439967 567905257 /nfs/dbraw/zinc/90/52/57/567905257.db2.gz BMLWIURZCVSRFY-UHFFFAOYSA-N 1 2 287.388 3.966 50 0 CHAALO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000000050483 567905892 /nfs/dbraw/zinc/90/58/92/567905892.db2.gz KRIROHZWSALYAG-PURYLZLUSA-N 1 2 279.383 3.914 50 0 CHAALO Cc1ccc2[nH+]c(CSc3ccccc3N)cn2c1 ZINC000011757617 567928432 /nfs/dbraw/zinc/92/84/32/567928432.db2.gz KUBKVRAUEIIEBQ-UHFFFAOYSA-N 1 2 269.373 3.517 50 0 CHAALO CCc1[nH+]c2ccccc2n1Cc1ccccc1C ZINC000000468981 567932477 /nfs/dbraw/zinc/93/24/77/567932477.db2.gz FCWJRBJTMMTLRG-UHFFFAOYSA-N 1 2 250.345 3.955 50 0 CHAALO CC(C)c1ccccc1OC/C=C/Cn1cc[nH+]c1 ZINC000012383127 567940110 /nfs/dbraw/zinc/94/01/10/567940110.db2.gz BXRBBQCABPOWDD-AATRIKPKSA-N 1 2 256.349 3.642 50 0 CHAALO CC(C)n1c[nH+]cc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000222628278 567949020 /nfs/dbraw/zinc/94/90/20/567949020.db2.gz ILHNYIQQMFXSMI-UHFFFAOYSA-N 1 2 294.402 3.504 50 0 CHAALO Clc1cc(Cl)cc(C[NH+]2CCSCC2)c1 ZINC000059858034 567956411 /nfs/dbraw/zinc/95/64/11/567956411.db2.gz NDODBXYGYLKTLD-UHFFFAOYSA-N 1 2 262.205 3.542 50 0 CHAALO CCCOc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000051786075 570309465 /nfs/dbraw/zinc/30/94/65/570309465.db2.gz MEOWDKZEJNHMJU-UHFFFAOYSA-N 1 2 281.359 3.735 50 0 CHAALO CC(C)c1nnc(C[N@H+](C/C=C/c2ccccc2)C2CC2)o1 ZINC000252499140 570322859 /nfs/dbraw/zinc/32/28/59/570322859.db2.gz RWBQUTJJSZZDEE-RMKNXTFCSA-N 1 2 297.402 3.871 50 0 CHAALO CC(C)c1nnc(C[N@@H+](C/C=C/c2ccccc2)C2CC2)o1 ZINC000252499140 570322861 /nfs/dbraw/zinc/32/28/61/570322861.db2.gz RWBQUTJJSZZDEE-RMKNXTFCSA-N 1 2 297.402 3.871 50 0 CHAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000012601249 570329270 /nfs/dbraw/zinc/32/92/70/570329270.db2.gz NLAXGZLDNOALRC-UHFFFAOYSA-N 1 2 297.333 3.508 50 0 CHAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000012601249 570329273 /nfs/dbraw/zinc/32/92/73/570329273.db2.gz NLAXGZLDNOALRC-UHFFFAOYSA-N 1 2 297.333 3.508 50 0 CHAALO CC(C)(C)[C@H]([NH2+]Cc1noc(C2CC2)n1)c1cccs1 ZINC000084169303 570336199 /nfs/dbraw/zinc/33/61/99/570336199.db2.gz USLNADOISYNWKB-CYBMUJFWSA-N 1 2 291.420 3.886 50 0 CHAALO CC(C)(C)[NH+]=C1Nc2ccccc2NC12CCSCC2 ZINC000075567139 570355769 /nfs/dbraw/zinc/35/57/69/570355769.db2.gz RHUQELQJPLKSBJ-UHFFFAOYSA-N 1 2 289.448 3.796 50 0 CHAALO Cc1cc(NC(=O)c2ccc(C)c(Cl)c2)c(C)c[nH+]1 ZINC000089643336 570367216 /nfs/dbraw/zinc/36/72/16/570367216.db2.gz NIZMUAGAYDCNAI-UHFFFAOYSA-N 1 2 274.751 3.913 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000069736988 570402168 /nfs/dbraw/zinc/40/21/68/570402168.db2.gz MKWCKLBDRRNFGF-CYBMUJFWSA-N 1 2 286.400 3.650 50 0 CHAALO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC000025404505 1125589410 /nfs/dbraw/zinc/58/94/10/1125589410.db2.gz PQWPHZZSYOEZDM-ZDUSSCGKSA-N 1 2 294.826 3.770 50 0 CHAALO Cc1cccc(Cl)c1OCCCCn1cc[nH+]c1 ZINC000002902121 1119156287 /nfs/dbraw/zinc/15/62/87/1119156287.db2.gz HDLBRGJLRFUULU-UHFFFAOYSA-N 1 2 264.756 3.704 50 0 CHAALO COc1cccc2c1OC[C@H](Cc1ccc(C)c(C)[nH+]1)C2 ZINC000095377181 1119740872 /nfs/dbraw/zinc/74/08/72/1119740872.db2.gz IUWGNVDUKMNKLN-AWEZNQCLSA-N 1 2 283.371 3.501 50 0 CHAALO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccon1 ZINC000070012411 1121262049 /nfs/dbraw/zinc/26/20/49/1121262049.db2.gz HLSCNLQRXNKIMU-SNVBAGLBSA-N 1 2 250.729 3.521 50 0 CHAALO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccon1 ZINC000070012411 1121262052 /nfs/dbraw/zinc/26/20/52/1121262052.db2.gz HLSCNLQRXNKIMU-SNVBAGLBSA-N 1 2 250.729 3.521 50 0 CHAALO Cc1c(-c2ccccc2)[nH+]cn1CCC[C@H]1CCOC1 ZINC000065373176 1129563858 /nfs/dbraw/zinc/56/38/58/1129563858.db2.gz RSVQMWSFNSTXAC-HNNXBMFYSA-N 1 2 270.376 3.675 50 0 CHAALO CCc1cc(N(C)[C@H](C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000095959039 185043756 /nfs/dbraw/zinc/04/37/56/185043756.db2.gz PNSBBXAUWYTPGR-CYBMUJFWSA-N 1 2 284.407 3.582 50 0 CHAALO CCC(=O)CCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000253427071 189991990 /nfs/dbraw/zinc/99/19/90/189991990.db2.gz CVBKDIROYDTMMD-UHFFFAOYSA-N 1 2 269.335 3.546 50 0 CHAALO CCC(=O)CCC[N@H+](CC)Cc1c(F)cccc1F ZINC000253427071 189991991 /nfs/dbraw/zinc/99/19/91/189991991.db2.gz CVBKDIROYDTMMD-UHFFFAOYSA-N 1 2 269.335 3.546 50 0 CHAALO Cc1[nH+]c2ccccc2n1CCOc1cccc(C)c1 ZINC000000195549 169570852 /nfs/dbraw/zinc/57/08/52/169570852.db2.gz MEUFEOKRMVONHC-UHFFFAOYSA-N 1 2 266.344 3.732 50 0 CHAALO Cc1[nH+]c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1C ZINC000004741716 170009087 /nfs/dbraw/zinc/00/90/87/170009087.db2.gz JHLMCNSABLWPKH-UHFFFAOYSA-N 1 2 298.321 3.665 50 0 CHAALO Cc1[nH+]c2cc(NC(=O)Nc3ccccc3F)ccc2n1C ZINC000004741715 170009100 /nfs/dbraw/zinc/00/91/00/170009100.db2.gz GVGBFRJCRPTOAA-UHFFFAOYSA-N 1 2 298.321 3.665 50 0 CHAALO Clc1c(OCCn2cc[nH+]c2)ccc2ccccc21 ZINC000004810570 170021137 /nfs/dbraw/zinc/02/11/37/170021137.db2.gz OXWMIUHTCMBBSI-UHFFFAOYSA-N 1 2 272.735 3.769 50 0 CHAALO COc1ccccc1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000004977529 170047990 /nfs/dbraw/zinc/04/79/90/170047990.db2.gz AUAIQNLWRDBYKA-UHFFFAOYSA-N 1 2 292.382 3.735 50 0 CHAALO COc1ccccc1C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000004977529 170047991 /nfs/dbraw/zinc/04/79/91/170047991.db2.gz AUAIQNLWRDBYKA-UHFFFAOYSA-N 1 2 292.382 3.735 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1Cl ZINC000005238397 170078239 /nfs/dbraw/zinc/07/82/39/170078239.db2.gz BOZYCTBISMORQS-UHFFFAOYSA-N 1 2 299.761 3.637 50 0 CHAALO Cn1c2ccccc2n2cc(-c3ccc(F)cc3)[nH+]c12 ZINC000008462801 170337007 /nfs/dbraw/zinc/33/70/07/170337007.db2.gz QXMHUIMCMWCNSI-UHFFFAOYSA-N 1 2 265.291 3.632 50 0 CHAALO c1cn(-c2ncnc3scc(-c4ccccc4)c32)c[nH+]1 ZINC000009338088 170373198 /nfs/dbraw/zinc/37/31/98/170373198.db2.gz NPBTZGFTLYEMKH-UHFFFAOYSA-N 1 2 278.340 3.544 50 0 CHAALO CCCC[C@H](CC)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000020867759 171276681 /nfs/dbraw/zinc/27/66/81/171276681.db2.gz FTHBEKDKKWHFIE-LBPRGKRZSA-N 1 2 261.369 3.895 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1ccc(C)o1 ZINC000020867613 171276978 /nfs/dbraw/zinc/27/69/78/171276978.db2.gz HZZIRANSZIXERZ-UHFFFAOYSA-N 1 2 255.321 3.570 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)no1 ZINC000021720530 171320577 /nfs/dbraw/zinc/32/05/77/171320577.db2.gz ZWJNDINNMZJCFM-OAHLLOKOSA-N 1 2 271.364 3.530 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccncc2)no1 ZINC000021720530 171320578 /nfs/dbraw/zinc/32/05/78/171320578.db2.gz ZWJNDINNMZJCFM-OAHLLOKOSA-N 1 2 271.364 3.530 50 0 CHAALO Fc1ccc([C@]2(C(F)(F)C(F)(F)F)CCC[NH2+]2)cc1 ZINC000022200698 171372379 /nfs/dbraw/zinc/37/23/79/171372379.db2.gz NALILMAQIBGSSI-JTQLQIEISA-N 1 2 283.215 3.602 50 0 CHAALO C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2cccs2)[N@@H+]1C ZINC000033383552 171788444 /nfs/dbraw/zinc/78/84/44/171788444.db2.gz UFDNKBVVFFWGRF-DFBGVHRSSA-N 1 2 259.374 3.839 50 0 CHAALO C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2cccs2)[N@H+]1C ZINC000033383552 171788446 /nfs/dbraw/zinc/78/84/46/171788446.db2.gz UFDNKBVVFFWGRF-DFBGVHRSSA-N 1 2 259.374 3.839 50 0 CHAALO CCCCc1noc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040049817 174185016 /nfs/dbraw/zinc/18/50/16/174185016.db2.gz HSGCMSWOOYGXJK-GFCCVEGCSA-N 1 2 291.420 3.811 50 0 CHAALO CCCCc1noc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000040049817 174185018 /nfs/dbraw/zinc/18/50/18/174185018.db2.gz HSGCMSWOOYGXJK-GFCCVEGCSA-N 1 2 291.420 3.811 50 0 CHAALO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000072144974 176325141 /nfs/dbraw/zinc/32/51/41/176325141.db2.gz BIUORXOSMPQTSN-OAHLLOKOSA-N 1 2 276.380 3.928 50 0 CHAALO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000072144974 176325142 /nfs/dbraw/zinc/32/51/42/176325142.db2.gz BIUORXOSMPQTSN-OAHLLOKOSA-N 1 2 276.380 3.928 50 0 CHAALO C[N@@H+]1CCc2c3ccccc3n(Cc3ccccc3)c2C1 ZINC000072332470 176370366 /nfs/dbraw/zinc/37/03/66/176370366.db2.gz ZJMCGGAWSAXHNR-UHFFFAOYSA-N 1 2 276.383 3.678 50 0 CHAALO C[N@H+]1CCc2c3ccccc3n(Cc3ccccc3)c2C1 ZINC000072332470 176370367 /nfs/dbraw/zinc/37/03/67/176370367.db2.gz ZJMCGGAWSAXHNR-UHFFFAOYSA-N 1 2 276.383 3.678 50 0 CHAALO CSc1ccc(-c2[nH+]ccn2Cc2ccccn2)cc1 ZINC000067872078 525949143 /nfs/dbraw/zinc/94/91/43/525949143.db2.gz SCBBVAKGPUPQQI-UHFFFAOYSA-N 1 2 281.384 3.715 50 0 CHAALO Cc1[nH+]c2ccccc2n1Cc1cc(-c2ccco2)on1 ZINC000012535862 566847107 /nfs/dbraw/zinc/84/71/07/566847107.db2.gz QTBZMHLCHWCFHX-UHFFFAOYSA-N 1 2 279.299 3.641 50 0 CHAALO Cc1nnc(C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)o1 ZINC000053132223 566879980 /nfs/dbraw/zinc/87/99/80/566879980.db2.gz IXJRKPSIMMNIDZ-UHFFFAOYSA-N 1 2 285.391 3.666 50 0 CHAALO Cc1nnc(C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)o1 ZINC000053132223 566879981 /nfs/dbraw/zinc/87/99/81/566879981.db2.gz IXJRKPSIMMNIDZ-UHFFFAOYSA-N 1 2 285.391 3.666 50 0 CHAALO CCC[C@@H]1[C@H](c2ccco2)[NH2+][C@@H](c2ccco2)C[C@]1(C)O ZINC000245261316 566969154 /nfs/dbraw/zinc/96/91/54/566969154.db2.gz KRWCRLSHEPHBQC-KFZJALRRSA-N 1 2 289.375 3.816 50 0 CHAALO CCCc1[nH]cc(-c2cc(OC(F)(F)F)ccc2O)[nH+]1 ZINC000426627799 566992138 /nfs/dbraw/zinc/99/21/38/566992138.db2.gz NJSRQHHAJRFYQF-UHFFFAOYSA-N 1 2 286.253 3.633 50 0 CHAALO Cc1ccc(CNc2ccc(-n3cccn3)cc2C)c(C)[nH+]1 ZINC000252484635 567058277 /nfs/dbraw/zinc/05/82/77/567058277.db2.gz GBYQUQPPALKTMP-UHFFFAOYSA-N 1 2 292.386 3.805 50 0 CHAALO Nc1cccn2cc(-c3ccc(Cl)cc3Cl)[nH+]c12 ZINC000019733917 567122407 /nfs/dbraw/zinc/12/24/07/567122407.db2.gz FCXGRIVUGHLFFH-UHFFFAOYSA-N 1 2 278.142 3.890 50 0 CHAALO C[C@@H](Sc1[nH+]cc2ccccn21)c1cccnc1 ZINC000079576199 567126991 /nfs/dbraw/zinc/12/69/91/567126991.db2.gz MBSRKSNIXJQOKY-LLVKDONJSA-N 1 2 255.346 3.583 50 0 CHAALO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422168 567131119 /nfs/dbraw/zinc/13/11/19/567131119.db2.gz DXOAEFMLFRGKTR-WDEREUQCSA-N 1 2 278.425 3.641 50 0 CHAALO CCC(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000000079478 567817715 /nfs/dbraw/zinc/81/77/15/567817715.db2.gz KBDQQKIJNJYJEN-UHFFFAOYSA-N 1 2 279.343 3.658 50 0 CHAALO CC(C)c1[nH+]cc([C@@H](O)c2cccc3ccccc32)n1C ZINC000000237918 567822773 /nfs/dbraw/zinc/82/27/73/567822773.db2.gz DZXMDRKTDSUFCX-KRWDZBQOSA-N 1 2 280.371 3.778 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1 ZINC000000804806 567835176 /nfs/dbraw/zinc/83/51/76/567835176.db2.gz ASRWESSLJNDBFK-UHFFFAOYSA-N 1 2 281.359 3.677 50 0 CHAALO CCCCn1c2ccccc2[nH+]c1NCc1ccccn1 ZINC000002073202 567844480 /nfs/dbraw/zinc/84/44/80/567844480.db2.gz UOKRGEBOKFZPFF-UHFFFAOYSA-N 1 2 280.375 3.844 50 0 CHAALO C[C@@H]1CCC[C@@H](N2CNc3[nH+]c4ccccc4n3C2)[C@@H]1C ZINC000004149133 567855453 /nfs/dbraw/zinc/85/54/53/567855453.db2.gz KHXBHMXDHPEFQC-UMVBOHGHSA-N 1 2 284.407 3.504 50 0 CHAALO CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000013209328 567865069 /nfs/dbraw/zinc/86/50/69/567865069.db2.gz OWEGWHBOCFMBLP-CQSZACIVSA-N 1 2 292.766 3.729 50 0 world CHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCC(C)C)cc1C ZINC000017120386 567874773 /nfs/dbraw/zinc/87/47/73/567874773.db2.gz OKTGKAQKVUUGEZ-UHFFFAOYSA-N 1 2 295.390 3.500 50 0 CHAALO c1ccc(NCc2ccc(CNc3cccc[nH+]3)cc2)nc1 ZINC000028863086 567883993 /nfs/dbraw/zinc/88/39/93/567883993.db2.gz KBVFRXIGQQRMEF-UHFFFAOYSA-N 1 2 290.370 3.701 50 0 in-vitro CHAALO Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643119 567884643 /nfs/dbraw/zinc/88/46/43/567884643.db2.gz AOGVGAGEVYOQTD-SFHVURJKSA-N 1 2 291.398 3.608 50 0 CHAALO [NH2+]=C1Nc2ccc(Cl)cc2[C@@]1(O)c1ccccc1Cl ZINC000071772920 567902110 /nfs/dbraw/zinc/90/21/10/567902110.db2.gz OLOMPNZBVUCPAA-AWEZNQCLSA-N 1 2 293.153 3.632 50 0 CHAALO c1ccc([C@H]2CCCC[N@H+]2Cc2nc3ccccc3[nH]2)nc1 ZINC000097784989 567911227 /nfs/dbraw/zinc/91/12/27/567911227.db2.gz XQCFMBFNOLEGSV-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO c1ccc([C@H]2CCCC[N@@H+]2Cc2nc3ccccc3[nH]2)nc1 ZINC000097784989 567911228 /nfs/dbraw/zinc/91/12/28/567911228.db2.gz XQCFMBFNOLEGSV-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO CCC(=O)Nc1cccc(-c2cn3cccc(C)c3[nH+]2)c1 ZINC000000203134 567930321 /nfs/dbraw/zinc/93/03/21/567930321.db2.gz FSYMRXSQDDJBTA-UHFFFAOYSA-N 1 2 279.343 3.658 50 0 CHAALO c1c(C23CC4CC(CC(C4)C2)C3)[nH+]c2ccccn12 ZINC000004137175 567938137 /nfs/dbraw/zinc/93/81/37/567938137.db2.gz UPHAIQRWKAVTEH-UHFFFAOYSA-N 1 2 252.361 3.802 50 0 CHAALO CC(C)([NH2+]Cc1cc(F)ccc1Cl)c1nccs1 ZINC000189191843 567938516 /nfs/dbraw/zinc/93/85/16/567938516.db2.gz LOZHNRGHQFIXSY-UHFFFAOYSA-N 1 2 284.787 3.961 50 0 CHAALO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc(C(C)C)on1 ZINC000216221668 567947464 /nfs/dbraw/zinc/94/74/64/567947464.db2.gz CWKNLKULIZYVNK-UHFFFAOYSA-N 1 2 276.355 3.878 50 0 CHAALO Cc1cc(F)ccc1C[N@H+](C)Cc1cc(C(C)C)on1 ZINC000216221668 567947465 /nfs/dbraw/zinc/94/74/65/567947465.db2.gz CWKNLKULIZYVNK-UHFFFAOYSA-N 1 2 276.355 3.878 50 0 CHAALO C[N@H+](Cc1nc(C(C)(C)C)no1)Cc1ccc(Cl)cc1 ZINC000032755412 567948733 /nfs/dbraw/zinc/94/87/33/567948733.db2.gz BUGKYKRECFNYEW-UHFFFAOYSA-N 1 2 293.798 3.653 50 0 CHAALO C[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccc(Cl)cc1 ZINC000032755412 567948734 /nfs/dbraw/zinc/94/87/34/567948734.db2.gz BUGKYKRECFNYEW-UHFFFAOYSA-N 1 2 293.798 3.653 50 0 CHAALO OCC1(Cn2c[nH+]c(-c3ccccc3)c2C2CC2)CCC1 ZINC000065529318 570244561 /nfs/dbraw/zinc/24/45/61/570244561.db2.gz JFILQEGCOXYGAM-UHFFFAOYSA-N 1 2 282.387 3.590 50 0 CHAALO Cc1ccsc1C[N@@H+](Cc1csc(C)n1)C1CC1 ZINC000244796099 570320979 /nfs/dbraw/zinc/32/09/79/570320979.db2.gz RSVWGMPSVCFFAG-UHFFFAOYSA-N 1 2 278.446 3.986 50 0 CHAALO Cc1ccsc1C[N@H+](Cc1csc(C)n1)C1CC1 ZINC000244796099 570320984 /nfs/dbraw/zinc/32/09/84/570320984.db2.gz RSVWGMPSVCFFAG-UHFFFAOYSA-N 1 2 278.446 3.986 50 0 CHAALO Cc1nc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cs1 ZINC000244795386 570321015 /nfs/dbraw/zinc/32/10/15/570321015.db2.gz RFLRGCPYVGLMPU-OAHLLOKOSA-N 1 2 273.405 3.574 50 0 CHAALO Cc1nc(C[N@H+]2CCCC[C@@H]2c2ccccn2)cs1 ZINC000244795386 570321017 /nfs/dbraw/zinc/32/10/17/570321017.db2.gz RFLRGCPYVGLMPU-OAHLLOKOSA-N 1 2 273.405 3.574 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)c3cccc4[nH]ccc43)cc2[nH+]1 ZINC000170015611 570361925 /nfs/dbraw/zinc/36/19/25/570361925.db2.gz MRLZQIFOPGKHBR-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO Cc1[nH]c2cc(NC(=O)c3cccc4[nH]ccc43)ccc2[nH+]1 ZINC000170015611 570361928 /nfs/dbraw/zinc/36/19/28/570361928.db2.gz MRLZQIFOPGKHBR-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(Cl)cc1Cl ZINC000054763238 570376921 /nfs/dbraw/zinc/37/69/21/570376921.db2.gz PPPZCRJARRXFDT-QMMMGPOBSA-N 1 2 270.163 3.567 50 0 CHAALO C[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000069848743 570402883 /nfs/dbraw/zinc/40/28/83/570402883.db2.gz CRGYPUAGCUURNI-AWEZNQCLSA-N 1 2 296.370 3.889 50 0 CHAALO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)cc(Cl)c1F ZINC000692315130 1118595935 /nfs/dbraw/zinc/59/59/35/1118595935.db2.gz RLLZTGWRUNLSLW-SSDOTTSWSA-N 1 2 288.153 3.706 50 0 CHAALO CC1(C)Cc2cccc(CNc3cc[nH+]cc3F)c2O1 ZINC000192150325 1131328572 /nfs/dbraw/zinc/32/85/72/1131328572.db2.gz DDIUOKOMNKDPPL-UHFFFAOYSA-N 1 2 272.323 3.546 50 0 CHAALO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000216020988 1125426832 /nfs/dbraw/zinc/42/68/32/1125426832.db2.gz YWPCLQGFNOYDSF-INIZCTEOSA-N 1 2 287.382 3.769 50 0 CHAALO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000216020988 1125426833 /nfs/dbraw/zinc/42/68/33/1125426833.db2.gz YWPCLQGFNOYDSF-INIZCTEOSA-N 1 2 287.382 3.769 50 0 CHAALO CC(C)n1cc([C@H](C)Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000095990588 185057650 /nfs/dbraw/zinc/05/76/50/185057650.db2.gz NMKCBRFPJHKMRM-AWEZNQCLSA-N 1 2 295.390 3.823 50 0 CHAALO Cc1cc(C(C)(C)C)ccc1OCCn1cc[nH+]c1 ZINC000000312065 169605446 /nfs/dbraw/zinc/60/54/46/169605446.db2.gz POGAZYBZFRTRDD-UHFFFAOYSA-N 1 2 258.365 3.568 50 0 CHAALO Cc1cc(OCCCCn2cc[nH+]c2)ccc1Cl ZINC000004809889 170020283 /nfs/dbraw/zinc/02/02/83/170020283.db2.gz OIGSXBRIWYYDLJ-UHFFFAOYSA-N 1 2 264.756 3.704 50 0 CHAALO Cc1[nH]c2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2c1C ZINC000006662572 170223623 /nfs/dbraw/zinc/22/36/23/170223623.db2.gz YAWWVCSPASDDBI-UHFFFAOYSA-N 1 2 279.343 3.740 50 0 CHAALO CC(C)c1cc(C[N@@H+]2CCC[C@H]2c2nccs2)on1 ZINC000020538803 171241405 /nfs/dbraw/zinc/24/14/05/171241405.db2.gz GJAWEGDPRZXUDZ-ZDUSSCGKSA-N 1 2 277.393 3.592 50 0 CHAALO CC(C)c1cc(C[N@H+]2CCC[C@H]2c2nccs2)on1 ZINC000020538803 171241407 /nfs/dbraw/zinc/24/14/07/171241407.db2.gz GJAWEGDPRZXUDZ-ZDUSSCGKSA-N 1 2 277.393 3.592 50 0 CHAALO c1csc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000022780133 171398735 /nfs/dbraw/zinc/39/87/35/171398735.db2.gz BBEWDQCNWQQUEP-UHFFFAOYSA-N 1 2 268.385 3.788 50 0 CHAALO c1csc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000022780133 171398736 /nfs/dbraw/zinc/39/87/36/171398736.db2.gz BBEWDQCNWQQUEP-UHFFFAOYSA-N 1 2 268.385 3.788 50 0 CHAALO CC(C)Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2[nH+]1 ZINC000036359150 172625213 /nfs/dbraw/zinc/62/52/13/172625213.db2.gz YYZBEYZTFHWWSG-UHFFFAOYSA-N 1 2 283.331 3.607 50 0 CHAALO CC(C)c1noc(C[N@H+](Cc2ccccc2)C(C)C)n1 ZINC000040049395 174184919 /nfs/dbraw/zinc/18/49/19/174184919.db2.gz GDZQHKWTILSYJJ-UHFFFAOYSA-N 1 2 273.380 3.604 50 0 CHAALO CC(C)c1noc(C[N@@H+](Cc2ccccc2)C(C)C)n1 ZINC000040049395 174184921 /nfs/dbraw/zinc/18/49/21/174184921.db2.gz GDZQHKWTILSYJJ-UHFFFAOYSA-N 1 2 273.380 3.604 50 0 CHAALO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000044914519 175276246 /nfs/dbraw/zinc/27/62/46/175276246.db2.gz FONICMPHCOFGLN-LLVKDONJSA-N 1 2 291.420 3.766 50 0 CHAALO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000044914519 175276247 /nfs/dbraw/zinc/27/62/47/175276247.db2.gz FONICMPHCOFGLN-LLVKDONJSA-N 1 2 291.420 3.766 50 0 CHAALO CC(C)[C@H](Nc1nccc(C2CCCC2)n1)c1[nH+]ccn1C ZINC000071404023 176155378 /nfs/dbraw/zinc/15/53/78/176155378.db2.gz FGZYFGRKYQYRKI-HNNXBMFYSA-N 1 2 299.422 3.677 50 0 CHAALO CC[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000071885871 176289957 /nfs/dbraw/zinc/28/99/57/176289957.db2.gz UEBYSMNKHYRURL-CQSZACIVSA-N 1 2 254.333 3.522 50 0 CHAALO Cc1ccc(F)c(C[NH+]2CC(c3ccccn3)C2)c1Cl ZINC000072158543 176329501 /nfs/dbraw/zinc/32/95/01/176329501.db2.gz OAKRQXOLPJCOAC-UHFFFAOYSA-N 1 2 290.769 3.782 50 0 CHAALO Cc1cc(C)c(NC(=O)c2ccc(C)c(F)c2)c(C)[nH+]1 ZINC000072276924 176356789 /nfs/dbraw/zinc/35/67/89/176356789.db2.gz DDZYMUIXOFBJPH-UHFFFAOYSA-N 1 2 272.323 3.707 50 0 CHAALO Cc1cc2[nH+]cn([C@H](C)C(=O)N3CCCCCC3)c2cc1C ZINC000076556439 177037703 /nfs/dbraw/zinc/03/77/03/177037703.db2.gz UILCGAPKOQWHHJ-OAHLLOKOSA-N 1 2 299.418 3.617 50 0 CHAALO C[C@@H](c1cccs1)n1cc[nH+]c1-c1cccc(O)c1 ZINC000071753045 260273493 /nfs/dbraw/zinc/27/34/93/260273493.db2.gz SGZYKQUTHNASBX-NSHDSACASA-N 1 2 270.357 3.927 50 0 CHAALO Cc1nc(C[N@@H+]2CCSC[C@H]2c2ccccc2)oc1C ZINC000071909048 327106061 /nfs/dbraw/zinc/10/60/61/327106061.db2.gz PJFPJYMXOWYJKB-HNNXBMFYSA-N 1 2 288.416 3.582 50 0 CHAALO Cc1nc(C[N@H+]2CCSC[C@H]2c2ccccc2)oc1C ZINC000071909048 327106062 /nfs/dbraw/zinc/10/60/62/327106062.db2.gz PJFPJYMXOWYJKB-HNNXBMFYSA-N 1 2 288.416 3.582 50 0 CHAALO CC(C)n1c[nH+]cc1CN1CCCC[C@@H]1c1nccs1 ZINC000097805556 528621803 /nfs/dbraw/zinc/62/18/03/528621803.db2.gz GJROOLGSFLKZJJ-CQSZACIVSA-N 1 2 290.436 3.648 50 0 CHAALO Cc1cc2[nH+]cn(C[C@@H]3CC3(Cl)Cl)c2cc1C ZINC000000572714 567834088 /nfs/dbraw/zinc/83/40/88/567834088.db2.gz AEVLJEGVEXIGQU-JTQLQIEISA-N 1 2 269.175 3.847 50 0 CHAALO Clc1ccc([C@@H]2CC[N@@H+]2Cc2cncs2)cc1 ZINC000093686010 567036860 /nfs/dbraw/zinc/03/68/60/567036860.db2.gz UNLZMDQOXGXYQX-ZDUSSCGKSA-N 1 2 264.781 3.744 50 0 CHAALO Clc1ccc([C@@H]2CC[N@H+]2Cc2cncs2)cc1 ZINC000093686010 567036866 /nfs/dbraw/zinc/03/68/66/567036866.db2.gz UNLZMDQOXGXYQX-ZDUSSCGKSA-N 1 2 264.781 3.744 50 0 CHAALO CCOc1ccc([NH2+]CC[C@H](O)c2ccc(F)cc2)cc1 ZINC000002521022 567056676 /nfs/dbraw/zinc/05/66/76/567056676.db2.gz QLDICCDOPKTAMN-KRWDZBQOSA-N 1 2 289.350 3.760 50 0 CHAALO Cc1noc([C@H]([NH2+]Cc2ccc(C)c(Cl)c2)C(C)C)n1 ZINC000195443120 567069893 /nfs/dbraw/zinc/06/98/93/567069893.db2.gz GIWMPRCYVRPWJD-CQSZACIVSA-N 1 2 293.798 3.827 50 0 CHAALO Cc1ncsc1C[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000095406532 567128841 /nfs/dbraw/zinc/12/88/41/567128841.db2.gz VKIPMJJSRWORRC-NSHDSACASA-N 1 2 293.436 3.930 50 0 CHAALO Cc1ncsc1C[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000095406532 567128847 /nfs/dbraw/zinc/12/88/47/567128847.db2.gz VKIPMJJSRWORRC-NSHDSACASA-N 1 2 293.436 3.930 50 0 CHAALO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422169 567130731 /nfs/dbraw/zinc/13/07/31/567130731.db2.gz DXOAEFMLFRGKTR-QWRGUYRKSA-N 1 2 278.425 3.641 50 0 CHAALO CC(C)[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000095465902 567136657 /nfs/dbraw/zinc/13/66/57/567136657.db2.gz WBVNCVZTPYDDCU-AWEZNQCLSA-N 1 2 287.325 3.562 50 0 CHAALO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)CCO1 ZINC000095465902 567136658 /nfs/dbraw/zinc/13/66/58/567136658.db2.gz WBVNCVZTPYDDCU-AWEZNQCLSA-N 1 2 287.325 3.562 50 0 CHAALO O=C(CC1CCCCC1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000095464768 567136696 /nfs/dbraw/zinc/13/66/96/567136696.db2.gz OFTSAZGMSDKDBW-UHFFFAOYSA-N 1 2 297.402 3.663 50 0 CHAALO CC(C)([NH2+]Cc1noc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000057846802 567164726 /nfs/dbraw/zinc/16/47/26/567164726.db2.gz JYFLZXVQLTZLJK-UHFFFAOYSA-N 1 2 291.782 3.625 50 0 CHAALO Cc1[nH+]c2ccccc2n1CCOc1ccc(F)cc1 ZINC000000233364 567822526 /nfs/dbraw/zinc/82/25/26/567822526.db2.gz RZZOCRPOZNQGBC-UHFFFAOYSA-N 1 2 270.307 3.563 50 0 CHAALO CCc1[nH+]c2ccccc2n1Cc1cccc(C)c1 ZINC000000459922 567831344 /nfs/dbraw/zinc/83/13/44/567831344.db2.gz WTGKVIZUDFTOOI-UHFFFAOYSA-N 1 2 250.345 3.955 50 0 CHAALO CCOc1ccc([NH2+]C[C@H]2CCOC(C)(C)C2)cc1 ZINC000004296032 567856604 /nfs/dbraw/zinc/85/66/04/567856604.db2.gz QGTKEDSQUDRCEG-ZDUSSCGKSA-N 1 2 263.381 3.702 50 0 CHAALO C[C@@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013119961 567864894 /nfs/dbraw/zinc/86/48/94/567864894.db2.gz IKSGNXSKFBMJLS-QBIMZIAESA-N 1 2 265.356 3.668 50 0 CHAALO Cc1[nH]cc(-c2cccc(OCc3ccccc3)c2)[nH+]1 ZINC000032520261 567885892 /nfs/dbraw/zinc/88/58/92/567885892.db2.gz APOHPBVXXZTMBM-UHFFFAOYSA-N 1 2 264.328 3.964 50 0 CHAALO CC(=O)c1c[nH]c(NCCCCCCc2ccccc2)[nH+]1 ZINC000034082999 567886996 /nfs/dbraw/zinc/88/69/96/567886996.db2.gz OBHZJLLKYBJLLW-UHFFFAOYSA-N 1 2 285.391 3.827 50 0 CHAALO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(Cl)c1 ZINC000057992371 567895622 /nfs/dbraw/zinc/89/56/22/567895622.db2.gz GYIYFQWIHPPQGI-GFCCVEGCSA-N 1 2 260.768 3.718 50 0 CHAALO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000057992371 567895624 /nfs/dbraw/zinc/89/56/24/567895624.db2.gz GYIYFQWIHPPQGI-GFCCVEGCSA-N 1 2 260.768 3.718 50 0 CHAALO CC[N@H+](Cc1c(C)noc1C)Cc1c(F)cccc1F ZINC000059409714 567896352 /nfs/dbraw/zinc/89/63/52/567896352.db2.gz AZKNKMWIJZHMOI-UHFFFAOYSA-N 1 2 280.318 3.592 50 0 CHAALO CC[N@@H+](Cc1c(C)noc1C)Cc1c(F)cccc1F ZINC000059409714 567896353 /nfs/dbraw/zinc/89/63/53/567896353.db2.gz AZKNKMWIJZHMOI-UHFFFAOYSA-N 1 2 280.318 3.592 50 0 CHAALO Cc1[nH+]c2ccc(Br)cc2n1C(C)C ZINC000076210341 567904372 /nfs/dbraw/zinc/90/43/72/567904372.db2.gz MKUUBENODRVHTB-UHFFFAOYSA-N 1 2 253.143 3.688 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000097159087 567904961 /nfs/dbraw/zinc/90/49/61/567904961.db2.gz QDZPGDADJZAIOO-LJQANCHMSA-N 1 2 291.398 3.792 50 0 CHAALO CCc1ccc([C@H](C)[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000097228381 567905969 /nfs/dbraw/zinc/90/59/69/567905969.db2.gz YGKIHSFTLUJUBW-NSHDSACASA-N 1 2 262.353 3.804 50 0 CHAALO C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)oc1=S ZINC000000071652 567907353 /nfs/dbraw/zinc/90/73/53/567907353.db2.gz YZQARGPSRQHAFX-LBPRGKRZSA-N 1 2 289.404 3.704 50 0 CHAALO C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)oc1=S ZINC000000071652 567907354 /nfs/dbraw/zinc/90/73/54/567907354.db2.gz YZQARGPSRQHAFX-LBPRGKRZSA-N 1 2 289.404 3.704 50 0 CHAALO c1ccc2[nH]c([C@H]3CCCC[N@H+]3Cc3cccnc3)nc2c1 ZINC000097243651 567910378 /nfs/dbraw/zinc/91/03/78/567910378.db2.gz OOWDHXAPEUPKFM-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO c1ccc2[nH]c([C@H]3CCCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC000097243651 567910379 /nfs/dbraw/zinc/91/03/79/567910379.db2.gz OOWDHXAPEUPKFM-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO c1c[nH+]c(-c2cccc(OCc3ccccc3)c2)[nH]1 ZINC000098113595 567911564 /nfs/dbraw/zinc/91/15/64/567911564.db2.gz NCDFZDMLHRVVBB-UHFFFAOYSA-N 1 2 250.301 3.656 50 0 CHAALO COc1ccc(Cl)cc1N1Cc2ccccc2C1=[NH2+] ZINC000100745802 567913826 /nfs/dbraw/zinc/91/38/26/567913826.db2.gz XYYLJJSQUGVNDN-UHFFFAOYSA-N 1 2 272.735 3.694 50 0 CHAALO Clc1cccc(NCc2cn3ccccc3[nH+]2)c1 ZINC000000114472 567923396 /nfs/dbraw/zinc/92/33/96/567923396.db2.gz XZRHWWOTIPRZNF-UHFFFAOYSA-N 1 2 257.724 3.600 50 0 CHAALO CC(C)C[C@H]1CCCC[C@@H]1OC(=O)C[NH+]1CCCCC1 ZINC000000171879 567924510 /nfs/dbraw/zinc/92/45/10/567924510.db2.gz SIXWBKPDADVZKS-CVEARBPZSA-N 1 2 281.440 3.620 50 0 CHAALO Cc1cc(C)n(CCc2[nH]c3ccc(C(C)(C)C)cc3[nH+]2)n1 ZINC000055252335 570241959 /nfs/dbraw/zinc/24/19/59/570241959.db2.gz QFVCFPZWXDWWHN-UHFFFAOYSA-N 1 2 296.418 3.916 50 0 CHAALO Cc1cc(C)n(CCc2[nH]c3cc(C(C)(C)C)ccc3[nH+]2)n1 ZINC000055252335 570241965 /nfs/dbraw/zinc/24/19/65/570241965.db2.gz QFVCFPZWXDWWHN-UHFFFAOYSA-N 1 2 296.418 3.916 50 0 CHAALO CSc1ccc(C[N@H+](Cc2cc(C)[nH]n2)C2CC2)cc1 ZINC000055414629 570243292 /nfs/dbraw/zinc/24/32/92/570243292.db2.gz DFVZTZDBSRHKTL-UHFFFAOYSA-N 1 2 287.432 3.605 50 0 CHAALO CSc1ccc(C[N@@H+](Cc2cc(C)[nH]n2)C2CC2)cc1 ZINC000055414629 570243295 /nfs/dbraw/zinc/24/32/95/570243295.db2.gz DFVZTZDBSRHKTL-UHFFFAOYSA-N 1 2 287.432 3.605 50 0 CHAALO COc1cccc([C@H]2CC[N@@H+]2Cc2coc(C(C)C)n2)c1 ZINC000215223400 570302439 /nfs/dbraw/zinc/30/24/39/570302439.db2.gz YQPUZSOUONQCBV-MRXNPFEDSA-N 1 2 286.375 3.754 50 0 CHAALO COc1cccc([C@H]2CC[N@H+]2Cc2coc(C(C)C)n2)c1 ZINC000215223400 570302441 /nfs/dbraw/zinc/30/24/41/570302441.db2.gz YQPUZSOUONQCBV-MRXNPFEDSA-N 1 2 286.375 3.754 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069737630 570402250 /nfs/dbraw/zinc/40/22/50/570402250.db2.gz ZLWJRJNHAFPLGU-UHFFFAOYSA-N 1 2 270.376 3.545 50 0 CHAALO Cc1nnc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774838 570402583 /nfs/dbraw/zinc/40/25/83/570402583.db2.gz BJCNFLWICQBNJU-MEBBXXQBSA-N 1 2 289.354 3.709 50 0 CHAALO Cc1nnc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774840 570402618 /nfs/dbraw/zinc/40/26/18/570402618.db2.gz BJCNFLWICQBNJU-ZUZCIYMTSA-N 1 2 289.354 3.709 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037073470 570411360 /nfs/dbraw/zinc/41/13/60/570411360.db2.gz SUNCVWMNPCBADI-ZDUSSCGKSA-N 1 2 293.823 3.698 50 0 CHAALO O[C@@H](C[C@H]1c2ccccc2-c2c[nH+]cn21)C1CCCCC1 ZINC000095616582 185016450 /nfs/dbraw/zinc/01/64/50/185016450.db2.gz YTRRAUACYORZLX-WMZOPIPTSA-N 1 2 282.387 3.784 50 0 investigational CHAALO O[C@H](C[C@H]1c2ccccc2-c2c[nH+]cn21)C1CCCCC1 ZINC000095616584 185016642 /nfs/dbraw/zinc/01/66/42/185016642.db2.gz YTRRAUACYORZLX-FUHWJXTLSA-N 1 2 282.387 3.784 50 0 investigational CHAALO C/C=C/C=C\C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000096983395 185146112 /nfs/dbraw/zinc/14/61/12/185146112.db2.gz VVVMRGJTADFZJH-QUJRGRDMSA-N 1 2 295.386 3.834 50 0 CHAALO C[N@H+](Cc1csc(Br)c1)Cc1ccccn1 ZINC000104948121 530019460 /nfs/dbraw/zinc/01/94/60/530019460.db2.gz YYFUIRPMQUBOEY-UHFFFAOYSA-N 1 2 297.221 3.538 50 0 CHAALO C[N@@H+](Cc1csc(Br)c1)Cc1ccccn1 ZINC000104948121 530019461 /nfs/dbraw/zinc/01/94/61/530019461.db2.gz YYFUIRPMQUBOEY-UHFFFAOYSA-N 1 2 297.221 3.538 50 0 CHAALO Cc1cc(CCCn2cc[nH+]c2)nc2cc(F)ccc12 ZINC000091943762 180290123 /nfs/dbraw/zinc/29/01/23/180290123.db2.gz DDCNNTRORWQOTJ-UHFFFAOYSA-N 1 2 269.323 3.512 50 0 CHAALO Cc1nc(C[N@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)oc1C ZINC000108155488 186207116 /nfs/dbraw/zinc/20/71/16/186207116.db2.gz HTCQZYJMNAHINT-CMPLNLGQSA-N 1 2 288.366 3.938 50 0 CHAALO Cc1nc(C[N@@H+]2[C@H](C)c3ccc(F)cc3C[C@@H]2C)oc1C ZINC000108155488 186207118 /nfs/dbraw/zinc/20/71/18/186207118.db2.gz HTCQZYJMNAHINT-CMPLNLGQSA-N 1 2 288.366 3.938 50 0 CHAALO CCCc1[nH]cc(-c2ccc(OC)c3ncccc23)[nH+]1 ZINC000426529280 256860300 /nfs/dbraw/zinc/86/03/00/256860300.db2.gz LFJRXVHAASYEIS-UHFFFAOYSA-N 1 2 267.332 3.586 50 0 CHAALO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000051454004 256877088 /nfs/dbraw/zinc/87/70/88/256877088.db2.gz UJWNTHVLTRLMTA-JTQLQIEISA-N 1 2 291.782 3.793 50 0 CHAALO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000051454004 256877089 /nfs/dbraw/zinc/87/70/89/256877089.db2.gz UJWNTHVLTRLMTA-JTQLQIEISA-N 1 2 291.782 3.793 50 0 CHAALO CCCCOc1ccccc1OCCCCn1cc[nH+]c1 ZINC000004841366 170027956 /nfs/dbraw/zinc/02/79/56/170027956.db2.gz QVWXINSQGJQHBQ-UHFFFAOYSA-N 1 2 288.391 3.921 50 0 CHAALO CCCn1c2ccccc2[nH+]c1NCc1ccc(C)o1 ZINC000006173068 170180219 /nfs/dbraw/zinc/18/02/19/170180219.db2.gz TUTGPBVYPHTTIX-UHFFFAOYSA-N 1 2 269.348 3.960 50 0 CHAALO COc1ccc([NH2+]C[C@@H]2CCc3ccccc3C2=O)cc1 ZINC000006296439 170189029 /nfs/dbraw/zinc/18/90/29/170189029.db2.gz RJJNAJKCJVYRTR-AWEZNQCLSA-N 1 2 281.355 3.552 50 0 CHAALO CC1=Nc2ccccc2NC(=[NH2+])C1c1ccc(F)cc1 ZINC000008733476 170352093 /nfs/dbraw/zinc/35/20/93/170352093.db2.gz RMWXROGQYWNQSD-UHFFFAOYSA-N 1 2 267.307 3.671 50 0 CHAALO Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc[nH+]1 ZINC000009497554 170378684 /nfs/dbraw/zinc/37/86/84/170378684.db2.gz ZGSVYXDBMYCTIW-UHFFFAOYSA-N 1 2 281.142 3.949 50 0 CHAALO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(=O)C2 ZINC000020432308 171197323 /nfs/dbraw/zinc/19/73/23/171197323.db2.gz WYJAPUKIYAZSEM-RTBURBONSA-N 1 2 294.398 3.775 50 0 in-vitro CHAALO CC[C@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)C(=O)C2 ZINC000020432308 171197325 /nfs/dbraw/zinc/19/73/25/171197325.db2.gz WYJAPUKIYAZSEM-RTBURBONSA-N 1 2 294.398 3.775 50 0 in-vitro CHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)no1 ZINC000021720528 171320401 /nfs/dbraw/zinc/32/04/01/171320401.db2.gz ZWJNDINNMZJCFM-HNNXBMFYSA-N 1 2 271.364 3.530 50 0 CHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccncc2)no1 ZINC000021720528 171320403 /nfs/dbraw/zinc/32/04/03/171320403.db2.gz ZWJNDINNMZJCFM-HNNXBMFYSA-N 1 2 271.364 3.530 50 0 CHAALO CC(C)c1nc(C[N@H+](C)Cc2ccsc2)cs1 ZINC000046054359 175390675 /nfs/dbraw/zinc/39/06/75/175390675.db2.gz LAVQUDBRLLJZMB-UHFFFAOYSA-N 1 2 266.435 3.960 50 0 CHAALO CC(C)c1nc(C[N@@H+](C)Cc2ccsc2)cs1 ZINC000046054359 175390676 /nfs/dbraw/zinc/39/06/76/175390676.db2.gz LAVQUDBRLLJZMB-UHFFFAOYSA-N 1 2 266.435 3.960 50 0 CHAALO C[C@@H](O)CNc1cc(-c2ccccc2)c2ccccc2[nH+]1 ZINC000046341282 175395454 /nfs/dbraw/zinc/39/54/54/175395454.db2.gz AHVXZGAQRNLPDT-CYBMUJFWSA-N 1 2 278.355 3.695 50 0 CHAALO C[C@H](c1[nH+]ccn1Cc1ccc(O)cc1)c1ccccc1 ZINC000072411720 176398834 /nfs/dbraw/zinc/39/88/34/176398834.db2.gz UIFNFFASTATTEJ-AWEZNQCLSA-N 1 2 278.355 3.789 50 0 CHAALO Cc1nc(C[N@@H+]2CCc3ccc(F)cc3[C@@H]2C)oc1C ZINC000071909018 327105987 /nfs/dbraw/zinc/10/59/87/327105987.db2.gz HIFMUUDGAGLYRZ-NSHDSACASA-N 1 2 274.339 3.550 50 0 CHAALO Cc1nc(C[N@H+]2CCc3ccc(F)cc3[C@@H]2C)oc1C ZINC000071909018 327105988 /nfs/dbraw/zinc/10/59/88/327105988.db2.gz HIFMUUDGAGLYRZ-NSHDSACASA-N 1 2 274.339 3.550 50 0 CHAALO C[C@@H]([NH2+]Cc1nc2ccccc2n1C1CC1)c1ccccn1 ZINC000191177821 566952182 /nfs/dbraw/zinc/95/21/82/566952182.db2.gz MAOZRHSWMRIXSJ-CYBMUJFWSA-N 1 2 292.386 3.617 50 0 CHAALO CCCNc1ccc(CNC(=O)Nc2cc[nH+]cc2C)cc1 ZINC000192418766 566973496 /nfs/dbraw/zinc/97/34/96/566973496.db2.gz URZXMJMQCCEOTH-UHFFFAOYSA-N 1 2 298.390 3.534 50 0 CHAALO Cc1[nH+]ccc(NC(=O)COc2cccc(C(C)C)c2)c1C ZINC000089556252 566984024 /nfs/dbraw/zinc/98/40/24/566984024.db2.gz HGHCLFNVCBVQPH-UHFFFAOYSA-N 1 2 298.386 3.839 50 0 CHAALO Cn1cc(-c2ccc(-c3ccc4c([nH+]3)NCCC4)cc2)cn1 ZINC000426397626 566987561 /nfs/dbraw/zinc/98/75/61/566987561.db2.gz SRXBVLBTDYNNRA-UHFFFAOYSA-N 1 2 290.370 3.507 50 0 CHAALO Cc1c(-c2ccccc2)[nH+]cn1CCNc1ccccc1 ZINC000065409487 567007416 /nfs/dbraw/zinc/00/74/16/567007416.db2.gz BMMJYUACPUONRC-UHFFFAOYSA-N 1 2 277.371 3.971 50 0 CHAALO CC1(C)C[C@@H](c2[nH]c[nH+]c2-c2ccccc2)CCO1 ZINC000065398865 567007594 /nfs/dbraw/zinc/00/75/94/567007594.db2.gz KQUMIOCFCNGOFL-ZDUSSCGKSA-N 1 2 256.349 3.749 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000065464965 567007955 /nfs/dbraw/zinc/00/79/55/567007955.db2.gz OKBGTLFXEGZDDT-ZDUSSCGKSA-N 1 2 263.410 3.657 50 0 CHAALO c1cc(N2CCC[C@@H]2C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000170626208 567015387 /nfs/dbraw/zinc/01/53/87/567015387.db2.gz WRFBUWXONAPLII-OAHLLOKOSA-N 1 2 271.408 3.903 50 0 CHAALO Cc1ncsc1C[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000095406533 567129053 /nfs/dbraw/zinc/12/90/53/567129053.db2.gz VKIPMJJSRWORRC-LLVKDONJSA-N 1 2 293.436 3.930 50 0 CHAALO Cc1ncsc1C[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000095406533 567129059 /nfs/dbraw/zinc/12/90/59/567129059.db2.gz VKIPMJJSRWORRC-LLVKDONJSA-N 1 2 293.436 3.930 50 0 CHAALO CCOCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000028228157 567149069 /nfs/dbraw/zinc/14/90/69/567149069.db2.gz DEGQMLLKFKMQNX-UHFFFAOYSA-N 1 2 294.398 3.858 50 0 CHAALO C[N@H+](Cc1cc(C2CC2)on1)Cc1cccc2cccnc21 ZINC000670446027 567176327 /nfs/dbraw/zinc/17/63/27/567176327.db2.gz PCKRFBXXBLNVSO-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO C[N@@H+](Cc1cc(C2CC2)on1)Cc1cccc2cccnc21 ZINC000670446027 567176333 /nfs/dbraw/zinc/17/63/33/567176333.db2.gz PCKRFBXXBLNVSO-UHFFFAOYSA-N 1 2 293.370 3.732 50 0 CHAALO Cc1ccc([C@H](C)[NH2+]Cc2csc([C@@H]3CCCO3)n2)o1 ZINC000097374071 567860062 /nfs/dbraw/zinc/86/00/62/567860062.db2.gz GIXBMROYNNZPTR-FZMZJTMJSA-N 1 2 292.404 3.747 50 0 CHAALO Cc1ccc(C)c(Cn2c3ccccc3[nH+]c2CCCO)c1 ZINC000012438437 567863481 /nfs/dbraw/zinc/86/34/81/567863481.db2.gz OSNBLBBQBXRVCT-UHFFFAOYSA-N 1 2 294.398 3.626 50 0 CHAALO CC(C)(C)c1nn(C[N@H+](C2CC2)C2CCCC2)c(=S)[nH]1 ZINC000032923209 567873548 /nfs/dbraw/zinc/87/35/48/567873548.db2.gz DPXWEJXHSAIIIK-UHFFFAOYSA-N 1 2 294.468 3.603 50 0 CHAALO CC(C)(C)c1nn(C[N@@H+](C2CC2)C2CCCC2)c(=S)[nH]1 ZINC000032923209 567873550 /nfs/dbraw/zinc/87/35/50/567873550.db2.gz DPXWEJXHSAIIIK-UHFFFAOYSA-N 1 2 294.468 3.603 50 0 CHAALO CCc1c(-c2ccccc2)[nH+]cn1Cc1c(C)noc1C ZINC000065394997 567899123 /nfs/dbraw/zinc/89/91/23/567899123.db2.gz IFIPGLAUWKLAAM-UHFFFAOYSA-N 1 2 281.359 3.766 50 0 CHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)c1n[nH]c(C2CC2)n1 ZINC000065417556 567899185 /nfs/dbraw/zinc/89/91/85/567899185.db2.gz SRKOICDWQMZFFT-ZDUSSCGKSA-N 1 2 295.390 3.594 50 0 CHAALO Cc1ccc(F)cc1C[NH2+]Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000067955993 567901031 /nfs/dbraw/zinc/90/10/31/567901031.db2.gz IBXMISZHRFJJEX-UHFFFAOYSA-N 1 2 297.377 3.917 50 0 CHAALO CCc1cc(Cn2cc[nH+]c2-c2ccccc2SC)on1 ZINC000071776974 567902082 /nfs/dbraw/zinc/90/20/82/567902082.db2.gz MLCFOJJJDKZBSJ-UHFFFAOYSA-N 1 2 299.399 3.871 50 0 CHAALO CCCC[C@@H]1C=CCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097681906 567910954 /nfs/dbraw/zinc/91/09/54/567910954.db2.gz HQAQOMIBLKJJJX-CQSZACIVSA-N 1 2 295.386 3.648 50 0 CHAALO Cc1nc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)no1 ZINC000252506998 567930307 /nfs/dbraw/zinc/93/03/07/567930307.db2.gz WEXSXJPTWCWEGF-OAHLLOKOSA-N 1 2 285.391 3.571 50 0 CHAALO Cc1ccc2[nH+]c(CNc3ccc(Cl)cc3)cn2c1 ZINC000012062418 567945677 /nfs/dbraw/zinc/94/56/77/567945677.db2.gz PISPRNOYCSJCJN-UHFFFAOYSA-N 1 2 271.751 3.908 50 0 CHAALO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2OC(C)C)no1 ZINC000225734586 567954891 /nfs/dbraw/zinc/95/48/91/567954891.db2.gz UYFDUIIVXAYGDF-CYBMUJFWSA-N 1 2 274.364 3.621 50 0 CHAALO Cc1nnc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774842 570402621 /nfs/dbraw/zinc/40/26/21/570402621.db2.gz BJCNFLWICQBNJU-BMIGLBTASA-N 1 2 289.354 3.709 50 0 CHAALO C[N@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCCc2ccccc21 ZINC000015078771 1128454929 /nfs/dbraw/zinc/45/49/29/1128454929.db2.gz CUHCJKSBUYGAGY-MRXNPFEDSA-N 1 2 297.402 3.532 50 0 CHAALO C[N@@H+](Cc1nc(CC2CC2)no1)[C@@H]1CCCc2ccccc21 ZINC000015078771 1128454932 /nfs/dbraw/zinc/45/49/32/1128454932.db2.gz CUHCJKSBUYGAGY-MRXNPFEDSA-N 1 2 297.402 3.532 50 0 CHAALO FC1(F)CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000215447331 1118900812 /nfs/dbraw/zinc/90/08/12/1118900812.db2.gz LWHGRRYEKLSRSM-UHFFFAOYSA-N 1 2 290.151 3.680 50 0 CHAALO Cc1cc(C)c(C)c(OCCCCn2cc[nH+]c2)c1 ZINC000013284778 1120776510 /nfs/dbraw/zinc/77/65/10/1120776510.db2.gz VXYDCIGJEJZNIX-UHFFFAOYSA-N 1 2 258.365 3.668 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1 ZINC000000809658 1120993040 /nfs/dbraw/zinc/99/30/40/1120993040.db2.gz STHWZAGYVMRVRG-UHFFFAOYSA-N 1 2 281.359 3.677 50 0 CHAALO c1ccc2c(c1)[nH+]c(N1CCCCCC1)nc2NC1CC1 ZINC000041149828 1121262296 /nfs/dbraw/zinc/26/22/96/1121262296.db2.gz SLUCCOXMVRSRNG-UHFFFAOYSA-N 1 2 282.391 3.585 50 0 CHAALO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052074266 1121645987 /nfs/dbraw/zinc/64/59/87/1121645987.db2.gz RNCCUJOJVXZVBC-LLVKDONJSA-N 1 2 262.328 3.624 50 0 CHAALO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052074266 1121645989 /nfs/dbraw/zinc/64/59/89/1121645989.db2.gz RNCCUJOJVXZVBC-LLVKDONJSA-N 1 2 262.328 3.624 50 0 CHAALO CCCc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000952861242 1132014851 /nfs/dbraw/zinc/01/48/51/1132014851.db2.gz YPHGAEYZSWNTQT-GOSISDBHSA-N 1 2 285.387 3.806 50 0 CHAALO CCCc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000952861242 1132014860 /nfs/dbraw/zinc/01/48/60/1132014860.db2.gz YPHGAEYZSWNTQT-GOSISDBHSA-N 1 2 285.387 3.806 50 0 CHAALO Cc1[nH+]c(CN[C@@H](c2ccco2)c2ccccc2)n(C)c1C ZINC000952985245 1132018684 /nfs/dbraw/zinc/01/86/84/1132018684.db2.gz QXHBNGLUVKQDGM-GOSISDBHSA-N 1 2 295.386 3.509 50 0 CHAALO Cc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)o1 ZINC000096493197 230383252 /nfs/dbraw/zinc/38/32/52/230383252.db2.gz VYBVYCGCVRXPCB-JBCWJZNQSA-N 1 2 291.782 3.518 50 0 CHAALO Cc1ccc(SCc2cn3cccc(C)c3[nH+]2)nc1 ZINC000095949546 185039173 /nfs/dbraw/zinc/03/91/73/185039173.db2.gz BKJKEBLHYZCNIR-UHFFFAOYSA-N 1 2 269.373 3.638 50 0 CHAALO CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2[nH]c[nH+]c2C)C1 ZINC000091738395 180244049 /nfs/dbraw/zinc/24/40/49/180244049.db2.gz HRJYQTSPKDDCQO-KRWDZBQOSA-N 1 2 289.423 3.593 50 0 CHAALO CCCn1c2ccccc2[nH+]c1NCc1cscn1 ZINC000181479340 189297852 /nfs/dbraw/zinc/29/78/52/189297852.db2.gz KMERGNBIKWYVPE-UHFFFAOYSA-N 1 2 272.377 3.515 50 0 CHAALO C[NH+]1C=CC(=C/C=C2/C=Nc3ccc(F)cc32)C=C1 ZINC000334157098 206119607 /nfs/dbraw/zinc/11/96/07/206119607.db2.gz PKSQGPDOYRQCRI-DXNYSGJVSA-N 1 2 252.292 3.824 50 0 CHAALO COc1ccc(OCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000004741831 170008781 /nfs/dbraw/zinc/00/87/81/170008781.db2.gz CPRSUJGUTQXBJJ-UHFFFAOYSA-N 1 2 296.370 3.822 50 0 CHAALO c1cn(CCOc2ccc(Cc3ccccc3)cc2)c[nH+]1 ZINC000004810590 170021037 /nfs/dbraw/zinc/02/10/37/170021037.db2.gz MWFRKGOVHDYIDY-UHFFFAOYSA-N 1 2 278.355 3.553 50 0 CHAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1 ZINC000005902450 170152631 /nfs/dbraw/zinc/15/26/31/170152631.db2.gz AYUHWWBKKWTMDS-UHFFFAOYSA-N 1 2 293.370 3.628 50 0 CHAALO c1cn(-c2ccc(Oc3ncnc4sccc43)cc2)c[nH+]1 ZINC000006909170 170254380 /nfs/dbraw/zinc/25/43/80/170254380.db2.gz BDIQHQUMMLBIKY-UHFFFAOYSA-N 1 2 294.339 3.669 50 0 CHAALO Cc1[nH]c2ccccc2c1C1N2CC3(C)C[NH+]1CC(C)(C2)C3 ZINC000019324173 170775007 /nfs/dbraw/zinc/77/50/07/170775007.db2.gz UOQLIDJBJCBERP-UHFFFAOYSA-N 1 2 295.430 3.522 50 0 CHAALO Nc1ccc(Oc2ccc(F)cc2)c2cc[nH+]cc12 ZINC000035333052 172131440 /nfs/dbraw/zinc/13/14/40/172131440.db2.gz UGLMJPBIBIZJJZ-UHFFFAOYSA-N 1 2 254.264 3.748 50 0 CHAALO Cc1csc(C[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000038090743 174103682 /nfs/dbraw/zinc/10/36/82/174103682.db2.gz XFJDXCAHPUSFJP-SNVBAGLBSA-N 1 2 266.797 3.956 50 0 CHAALO CC(C)Cc1noc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000040050399 174184871 /nfs/dbraw/zinc/18/48/71/174184871.db2.gz WHZLCDNWAMSLLG-LBPRGKRZSA-N 1 2 291.420 3.667 50 0 CHAALO CC(C)Cc1noc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000040050399 174184873 /nfs/dbraw/zinc/18/48/73/174184873.db2.gz WHZLCDNWAMSLLG-LBPRGKRZSA-N 1 2 291.420 3.667 50 0 CHAALO CC(C)c1noc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000040489670 174291019 /nfs/dbraw/zinc/29/10/19/174291019.db2.gz QWUHBHPCIAQDBI-SNVBAGLBSA-N 1 2 295.333 3.664 50 0 CHAALO CC(C)c1noc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000040489670 174291020 /nfs/dbraw/zinc/29/10/20/174291020.db2.gz QWUHBHPCIAQDBI-SNVBAGLBSA-N 1 2 295.333 3.664 50 0 CHAALO Cc1ccc(C[N@@H+](C)[C@H](C)c2nc(C)sc2C)o1 ZINC000072125459 176320735 /nfs/dbraw/zinc/32/07/35/176320735.db2.gz WBEKWUSWDYPGPQ-SNVBAGLBSA-N 1 2 264.394 3.854 50 0 CHAALO Cc1ccc(C[N@H+](C)[C@H](C)c2nc(C)sc2C)o1 ZINC000072125459 176320736 /nfs/dbraw/zinc/32/07/36/176320736.db2.gz WBEKWUSWDYPGPQ-SNVBAGLBSA-N 1 2 264.394 3.854 50 0 CHAALO CC(C)c1nnc(C[N@H+](C)[C@H]2CCCc3ccccc32)o1 ZINC000072167261 176331908 /nfs/dbraw/zinc/33/19/08/176331908.db2.gz CXAMZNIDWITUMN-HNNXBMFYSA-N 1 2 285.391 3.702 50 0 CHAALO CC(C)c1nnc(C[N@@H+](C)[C@H]2CCCc3ccccc32)o1 ZINC000072167261 176331910 /nfs/dbraw/zinc/33/19/10/176331910.db2.gz CXAMZNIDWITUMN-HNNXBMFYSA-N 1 2 285.391 3.702 50 0 CHAALO Cc1ccc(C)c(-c2[nH+]ccn2CCCc2cnn(C)c2)c1 ZINC000077343891 177254512 /nfs/dbraw/zinc/25/45/12/177254512.db2.gz ZGYDZHAQKGWDJV-UHFFFAOYSA-N 1 2 294.402 3.533 50 0 CHAALO CCc1nc(Cn2c[nH+]c3cc(C)c(C)cc32)cs1 ZINC000078672321 177368816 /nfs/dbraw/zinc/36/88/16/177368816.db2.gz VLPMWABSZALNEV-UHFFFAOYSA-N 1 2 271.389 3.720 50 0 CHAALO Cn1c[nH+]cc1CSC1=Nc2ccccc2CS1 ZINC000408513080 261068800 /nfs/dbraw/zinc/06/88/00/261068800.db2.gz QZNPUHTXBYIDRG-UHFFFAOYSA-N 1 2 275.402 3.588 50 0 CHAALO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc(C)on1 ZINC000255720352 327008226 /nfs/dbraw/zinc/00/82/26/327008226.db2.gz MLIVQWQCNSBYNT-LCYFTJDESA-N 1 2 256.349 3.518 50 0 CHAALO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C)on1 ZINC000255720352 327008228 /nfs/dbraw/zinc/00/82/28/327008228.db2.gz MLIVQWQCNSBYNT-LCYFTJDESA-N 1 2 256.349 3.518 50 0 CHAALO C[C@H](c1[nH+]ccn1CCNc1cccnc1)c1ccccc1 ZINC000072439522 327110872 /nfs/dbraw/zinc/11/08/72/327110872.db2.gz CMECNZOUANYXJD-HNNXBMFYSA-N 1 2 292.386 3.542 50 0 CHAALO Cc1ncc([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)c(C)n1 ZINC000128590887 527306489 /nfs/dbraw/zinc/30/64/89/527306489.db2.gz IGYPQHFFMIMBLE-SNVBAGLBSA-N 1 2 290.436 3.524 50 0 CHAALO CC(C)n1c[nH+]cc1CN1CCCC[C@H]1c1nccs1 ZINC000097805557 528620616 /nfs/dbraw/zinc/62/06/16/528620616.db2.gz GJROOLGSFLKZJJ-AWEZNQCLSA-N 1 2 290.436 3.648 50 0 CHAALO Cc1[nH]c2ccc(N(C)C(=O)c3ccccc3Cl)cc2[nH+]1 ZINC000082351794 566838783 /nfs/dbraw/zinc/83/87/83/566838783.db2.gz IDWWIWGCAQHIMS-UHFFFAOYSA-N 1 2 299.761 3.801 50 0 CHAALO c1ncc(CNc2[nH+]cccc2-c2ccccc2)s1 ZINC000162385453 566952782 /nfs/dbraw/zinc/95/27/82/566952782.db2.gz NEGBSFFLZPGFAB-UHFFFAOYSA-N 1 2 267.357 3.817 50 0 CHAALO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccsc1 ZINC000170611629 567014034 /nfs/dbraw/zinc/01/40/34/567014034.db2.gz HYQFFTBCNXWMFK-UHFFFAOYSA-N 1 2 298.367 3.599 50 0 CHAALO CC1=CC[N@H+](Cc2ccc(Br)s2)CC1 ZINC000089919771 567030708 /nfs/dbraw/zinc/03/07/08/567030708.db2.gz YEWXXXUDHJBWRP-UHFFFAOYSA-N 1 2 272.211 3.663 50 0 CHAALO CC1=CC[N@@H+](Cc2ccc(Br)s2)CC1 ZINC000089919771 567030715 /nfs/dbraw/zinc/03/07/15/567030715.db2.gz YEWXXXUDHJBWRP-UHFFFAOYSA-N 1 2 272.211 3.663 50 0 CHAALO CN1CC[N@@H+]2CCc3ccccc3[C@H]2c2cc(Cl)ccc21 ZINC000008575866 567089118 /nfs/dbraw/zinc/08/91/18/567089118.db2.gz VJIOOEKUNBUDGM-SFHVURJKSA-N 1 2 298.817 3.737 50 0 CHAALO CN1CC[N@H+]2CCc3ccccc3[C@H]2c2cc(Cl)ccc21 ZINC000008575866 567089124 /nfs/dbraw/zinc/08/91/24/567089124.db2.gz VJIOOEKUNBUDGM-SFHVURJKSA-N 1 2 298.817 3.737 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037898560 567136586 /nfs/dbraw/zinc/13/65/86/567136586.db2.gz XBBKJZBBNCYZPY-VIFPVBQESA-N 1 2 283.297 3.588 50 0 CHAALO CCCc1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1 ZINC000069413926 567201038 /nfs/dbraw/zinc/20/10/38/567201038.db2.gz PWADUYHLRFFJAU-SNVBAGLBSA-N 1 2 279.771 3.526 50 0 CHAALO COc1ccccc1OCCCn1c(C)[nH+]c2ccccc21 ZINC000002700819 567849271 /nfs/dbraw/zinc/84/92/71/567849271.db2.gz BTETUORDJUONMW-UHFFFAOYSA-N 1 2 296.370 3.822 50 0 CHAALO Cc1ccc2cc3c([nH+]c2c1)N(Cc1ccco1)CC3 ZINC000004258632 567856242 /nfs/dbraw/zinc/85/62/42/567856242.db2.gz IFRKLHPEWFRVON-UHFFFAOYSA-N 1 2 264.328 3.699 50 0 CHAALO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000097373760 567859783 /nfs/dbraw/zinc/85/97/83/567859783.db2.gz XDIIGGNPEOBWLU-INIZCTEOSA-N 1 2 297.402 3.750 50 0 CHAALO Clc1ccc(OCCCn2cc[nH+]c2)cc1Cl ZINC000016192722 567872126 /nfs/dbraw/zinc/87/21/26/567872126.db2.gz GTODKSBPPVFPNV-UHFFFAOYSA-N 1 2 271.147 3.659 50 0 CHAALO Cc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000030690100 567884880 /nfs/dbraw/zinc/88/48/80/567884880.db2.gz MRQVCRQWXCQMRV-UHFFFAOYSA-N 1 2 297.383 3.554 50 0 CHAALO COc1ccc2[nH+]c(N3CCC[C@H](C)C3)cc(C)c2c1 ZINC000005005783 567888295 /nfs/dbraw/zinc/88/82/95/567888295.db2.gz CBMWEYNCHFAULB-LBPRGKRZSA-N 1 2 270.376 3.788 50 0 CHAALO Cc1cccnc1C[N@@H+](C)Cc1nc(C(C)C)cs1 ZINC000065375952 567898605 /nfs/dbraw/zinc/89/86/05/567898605.db2.gz OCOCCLHXGXNMPL-UHFFFAOYSA-N 1 2 275.421 3.602 50 0 CHAALO Cc1cccnc1C[N@H+](C)Cc1nc(C(C)C)cs1 ZINC000065375952 567898607 /nfs/dbraw/zinc/89/86/07/567898607.db2.gz OCOCCLHXGXNMPL-UHFFFAOYSA-N 1 2 275.421 3.602 50 0 CHAALO Fc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)c(Cl)c1 ZINC000065406664 567898949 /nfs/dbraw/zinc/89/89/49/567898949.db2.gz KVADPTSAJGXOCG-UHFFFAOYSA-N 1 2 287.725 3.786 50 0 CHAALO C[C@@H](c1[nH+]ccn1-c1cccc(CO)c1)c1ccccc1 ZINC000067641295 567900288 /nfs/dbraw/zinc/90/02/88/567900288.db2.gz NJGFZXPQILOUAK-CQSZACIVSA-N 1 2 278.355 3.516 50 0 CHAALO Cc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)c[nH+]1 ZINC000067967022 567901014 /nfs/dbraw/zinc/90/10/14/567901014.db2.gz BFGGLBFVLPPZQJ-UHFFFAOYSA-N 1 2 287.750 3.857 50 0 CHAALO C[C@H](c1[nH+]ccn1CCC1(O)CCCC1)c1ccccc1 ZINC000072474623 567903145 /nfs/dbraw/zinc/90/31/45/567903145.db2.gz MVINWGRTTXIMLE-HNNXBMFYSA-N 1 2 284.403 3.730 50 0 CHAALO C[C@@H](CC1CCOCC1)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000097162179 567905366 /nfs/dbraw/zinc/90/53/66/567905366.db2.gz IJDKBXQQMOKZLG-AWEZNQCLSA-N 1 2 299.418 3.704 50 0 CHAALO COCCc1nc(C)c([C@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000097231527 567905885 /nfs/dbraw/zinc/90/58/85/567905885.db2.gz NMHJOEHAGFRGPE-NSHDSACASA-N 1 2 291.420 3.517 50 0 CHAALO Cc1cc(C)c(NC(=O)Nc2ccccc2)c(C)[nH+]1 ZINC000000141270 567923817 /nfs/dbraw/zinc/92/38/17/567923817.db2.gz VNZLLQUPKVDAIC-UHFFFAOYSA-N 1 2 255.321 3.651 50 0 CHAALO Cc1[nH+]c2ccccc2n1C[C@@H]1CC1(Cl)Cl ZINC000000352663 567935820 /nfs/dbraw/zinc/93/58/20/567935820.db2.gz NVKCEYFKCICCSG-VIFPVBQESA-N 1 2 255.148 3.539 50 0 CHAALO CCC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1 ZINC000033084555 570246977 /nfs/dbraw/zinc/24/69/77/570246977.db2.gz DWIPBXVTYFZOCS-UHFFFAOYSA-N 1 2 297.402 3.882 50 0 CHAALO Fc1cccc(Cl)c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000215374964 570302799 /nfs/dbraw/zinc/30/27/99/570302799.db2.gz XRRWJAXOWJLBDE-UHFFFAOYSA-N 1 2 283.774 3.624 50 0 CHAALO Fc1cccc(Cl)c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000215374964 570302800 /nfs/dbraw/zinc/30/28/00/570302800.db2.gz XRRWJAXOWJLBDE-UHFFFAOYSA-N 1 2 283.774 3.624 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000069653915 570402206 /nfs/dbraw/zinc/40/22/06/570402206.db2.gz BTBZKGYUOUGBFJ-UHFFFAOYSA-N 1 2 294.276 3.590 50 0 CHAALO c1ccc2c(c1)[nH+]c(N1CCCC1)nc2N1CCCCCC1 ZINC000041149298 1121262403 /nfs/dbraw/zinc/26/24/03/1121262403.db2.gz MQUBYENGCSSXMW-UHFFFAOYSA-N 1 2 296.418 3.610 50 0 CHAALO Cc1cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)no1 ZINC000097033089 185156176 /nfs/dbraw/zinc/15/61/76/185156176.db2.gz DJIIJUWLPRABBC-ZDUSSCGKSA-N 1 2 274.364 3.621 50 0 CHAALO CCn1ccnc1C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000252486626 189976996 /nfs/dbraw/zinc/97/69/96/189976996.db2.gz HMVHGNRTZYUDHI-UHFFFAOYSA-N 1 2 294.402 3.549 50 0 CHAALO CCn1ccnc1C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000252486626 189976997 /nfs/dbraw/zinc/97/69/97/189976997.db2.gz HMVHGNRTZYUDHI-UHFFFAOYSA-N 1 2 294.402 3.549 50 0 CHAALO CC(C)c1cc(C[N@@H+]2CCCC[C@H]2c2ccccn2)no1 ZINC000243885773 131083259 /nfs/dbraw/zinc/08/32/59/131083259.db2.gz ACENBKZJMDZQQY-INIZCTEOSA-N 1 2 285.391 3.920 50 0 CHAALO CC(C)c1cc(C[N@H+]2CCCC[C@H]2c2ccccn2)no1 ZINC000243885773 131083260 /nfs/dbraw/zinc/08/32/60/131083260.db2.gz ACENBKZJMDZQQY-INIZCTEOSA-N 1 2 285.391 3.920 50 0 CHAALO c1cn(CCOc2ccccc2OCc2ccccc2)c[nH+]1 ZINC000004810546 170020970 /nfs/dbraw/zinc/02/09/70/170020970.db2.gz IFIPCFJYBKRUKX-UHFFFAOYSA-N 1 2 294.354 3.541 50 0 CHAALO Cc1ccc(Nc2cc(N3CCCC3)nc[nH+]2)cc1Cl ZINC000006824166 170246803 /nfs/dbraw/zinc/24/68/03/170246803.db2.gz ZQCRCLOZMCDVID-UHFFFAOYSA-N 1 2 288.782 3.782 50 0 CHAALO COc1ccccc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000007542384 170290246 /nfs/dbraw/zinc/29/02/46/170290246.db2.gz JWAWUUYFZPYWAV-UHFFFAOYSA-N 1 2 266.344 3.710 50 0 CHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CCC1 ZINC000007950804 170309188 /nfs/dbraw/zinc/30/91/88/170309188.db2.gz NLBQKXMBXZRGFF-UHFFFAOYSA-N 1 2 283.375 3.501 50 0 CHAALO Cc1cc(Nc2ccc(Br)cc2)nc(C)[nH+]1 ZINC000008614914 170343042 /nfs/dbraw/zinc/34/30/42/170343042.db2.gz WYIOZBKPSMRKNI-UHFFFAOYSA-N 1 2 278.153 3.600 50 0 CHAALO Cc1c[nH]c(C[N@@H+](C)Cc2oc3ccc(C)cc3c2C)n1 ZINC000020537453 171241269 /nfs/dbraw/zinc/24/12/69/171241269.db2.gz BOUQCQDYIOSONB-UHFFFAOYSA-N 1 2 283.375 3.713 50 0 CHAALO Cc1c[nH]c(C[N@H+](C)Cc2oc3ccc(C)cc3c2C)n1 ZINC000020537453 171241270 /nfs/dbraw/zinc/24/12/70/171241270.db2.gz BOUQCQDYIOSONB-UHFFFAOYSA-N 1 2 283.375 3.713 50 0 CHAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000040549105 174326622 /nfs/dbraw/zinc/32/66/22/174326622.db2.gz VGPWZOALMNYLGL-QGZVFWFLSA-N 1 2 298.386 3.563 50 0 CHAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000040549105 174326623 /nfs/dbraw/zinc/32/66/23/174326623.db2.gz VGPWZOALMNYLGL-QGZVFWFLSA-N 1 2 298.386 3.563 50 0 CHAALO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](CC2CC2)C1 ZINC000044124848 175143877 /nfs/dbraw/zinc/14/38/77/175143877.db2.gz PIYFGKXCUDCMSV-SFHVURJKSA-N 1 2 273.420 3.849 50 0 CHAALO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](CC2CC2)C1 ZINC000044124848 175143878 /nfs/dbraw/zinc/14/38/78/175143878.db2.gz PIYFGKXCUDCMSV-SFHVURJKSA-N 1 2 273.420 3.849 50 0 CHAALO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000044937881 175281949 /nfs/dbraw/zinc/28/19/49/175281949.db2.gz PSDJZLOFZUUMQQ-LBPRGKRZSA-N 1 2 291.420 3.766 50 0 CHAALO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000044937881 175281951 /nfs/dbraw/zinc/28/19/51/175281951.db2.gz PSDJZLOFZUUMQQ-LBPRGKRZSA-N 1 2 291.420 3.766 50 0 CHAALO O=C(Nc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045762909 175383252 /nfs/dbraw/zinc/38/32/52/175383252.db2.gz UQTZPEPPSYAKSR-UHFFFAOYSA-N 1 2 297.745 3.778 50 0 CHAALO c1cn(CC[C@H]2CCOC2)c(-c2ccnc3ccccc32)[nH+]1 ZINC000077285067 177248667 /nfs/dbraw/zinc/24/86/67/177248667.db2.gz GBGXQUFHBJMAPS-AWEZNQCLSA-N 1 2 293.370 3.525 50 0 CHAALO Cc1cc2[nH+]cn(C[C@H]3CC3(Cl)Cl)c2cc1C ZINC000000572713 567834170 /nfs/dbraw/zinc/83/41/70/567834170.db2.gz AEVLJEGVEXIGQU-SNVBAGLBSA-N 1 2 269.175 3.847 50 0 CHAALO C[C@@H]1CCC[C@H](N2CNc3[nH+]c4ccccc4n3C2)[C@H]1C ZINC000239331214 566825255 /nfs/dbraw/zinc/82/52/55/566825255.db2.gz KHXBHMXDHPEFQC-IPYPFGDCSA-N 1 2 284.407 3.504 50 0 CHAALO COc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]32)cc1 ZINC000263586108 566855701 /nfs/dbraw/zinc/85/57/01/566855701.db2.gz QGJFICFQBGWRIL-IBGZPJMESA-N 1 2 294.398 3.637 50 0 biogenic CHAALO COc1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@H]32)cc1 ZINC000263586108 566855707 /nfs/dbraw/zinc/85/57/07/566855707.db2.gz QGJFICFQBGWRIL-IBGZPJMESA-N 1 2 294.398 3.637 50 0 biogenic CHAALO CC[C@@H](C)NC(=O)CCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000075478724 566957687 /nfs/dbraw/zinc/95/76/87/566957687.db2.gz DJDLNAGOICMWDP-GFCCVEGCSA-N 1 2 287.407 3.534 50 0 CHAALO CC[C@@H](C)NC(=O)CCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000075478724 566957695 /nfs/dbraw/zinc/95/76/95/566957695.db2.gz DJDLNAGOICMWDP-GFCCVEGCSA-N 1 2 287.407 3.534 50 0 CHAALO Cc1ccc(NC(=O)c2cccn2-c2ccc[nH+]c2C)cc1 ZINC000064839254 566994832 /nfs/dbraw/zinc/99/48/32/566994832.db2.gz RUOQMYQMRWYCJK-UHFFFAOYSA-N 1 2 291.354 3.741 50 0 CHAALO Cc1c(-c2ccccc2)[nH+]cn1CCCNc1cccnc1 ZINC000065398161 567008367 /nfs/dbraw/zinc/00/83/67/567008367.db2.gz MJOOWMGCPLZUSW-UHFFFAOYSA-N 1 2 292.386 3.756 50 0 CHAALO CCCc1noc(C[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000065575469 567010022 /nfs/dbraw/zinc/01/00/22/567010022.db2.gz ZUVXGAOHGJJZJN-SNVBAGLBSA-N 1 2 279.771 3.526 50 0 CHAALO COc1ccc([NH2+]CCC(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002520999 567056698 /nfs/dbraw/zinc/05/66/98/567056698.db2.gz WUPOXNFIQSYVGU-UHFFFAOYSA-N 1 2 299.370 3.697 50 0 CHAALO C[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1 ZINC000027716914 567110344 /nfs/dbraw/zinc/11/03/44/567110344.db2.gz BCGBBSHPHTZOCZ-UHFFFAOYSA-N 1 2 280.346 3.758 50 0 CHAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1 ZINC000027716914 567110351 /nfs/dbraw/zinc/11/03/51/567110351.db2.gz BCGBBSHPHTZOCZ-UHFFFAOYSA-N 1 2 280.346 3.758 50 0 CHAALO CC[C@H]([NH2+]Cc1cc(C)on1)c1cc(F)ccc1F ZINC000095420850 567132422 /nfs/dbraw/zinc/13/24/22/567132422.db2.gz NIDSUDOZCKXXFP-AWEZNQCLSA-N 1 2 266.291 3.502 50 0 CHAALO CCCc1[nH+]cc([C@H](O)c2ccc(C(C)C)cc2)n1C ZINC000000372993 567827659 /nfs/dbraw/zinc/82/76/59/567827659.db2.gz PQHNLRVFNADHNG-QGZVFWFLSA-N 1 2 272.392 3.578 50 0 CHAALO CCOc1ccc([NH2+]CCC(=O)c2ccc(OC)cc2)cc1 ZINC000002521011 567847378 /nfs/dbraw/zinc/84/73/78/567847378.db2.gz QZJMRTVNHRZYOA-UHFFFAOYSA-N 1 2 299.370 3.779 50 0 CHAALO Fc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004025480 567855186 /nfs/dbraw/zinc/85/51/86/567855186.db2.gz IKXGNKHCUZDMCC-UHFFFAOYSA-N 1 2 267.307 3.624 50 0 CHAALO C[C@H](SCCCn1cc[nH+]c1)c1cccs1 ZINC000097375571 567859859 /nfs/dbraw/zinc/85/98/59/567859859.db2.gz NOUBCEAKFGFTIS-NSHDSACASA-N 1 2 252.408 3.829 50 0 CHAALO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000032797281 567868361 /nfs/dbraw/zinc/86/83/61/567868361.db2.gz KSNCBTNNYNFLCY-ZDUSSCGKSA-N 1 2 296.370 3.996 50 0 CHAALO CC[C@@H](C)c1ccccc1OCCCn1cc[nH+]c1 ZINC000016193395 567872367 /nfs/dbraw/zinc/87/23/67/567872367.db2.gz 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/nfs/dbraw/zinc/90/69/12/567906912.db2.gz CENKALBEGAYVSD-OAHLLOKOSA-N 1 2 277.371 3.947 50 0 CHAALO Cc1nnc([C@@H](C)[N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)o1 ZINC000097080467 567907051 /nfs/dbraw/zinc/90/70/51/567907051.db2.gz CQAUVZALFAOGSG-GFCCVEGCSA-N 1 2 299.418 3.795 50 0 CHAALO Cc1nnc([C@@H](C)[N@H+]2CCc3ccc(C(C)(C)C)cc3C2)o1 ZINC000097080467 567907052 /nfs/dbraw/zinc/90/70/52/567907052.db2.gz CQAUVZALFAOGSG-GFCCVEGCSA-N 1 2 299.418 3.795 50 0 CHAALO c1ccc2c(c1)ncnc2Nc1ccc([NH+]2CCCC2)cc1 ZINC000011990859 567928772 /nfs/dbraw/zinc/92/87/72/567928772.db2.gz QASFRIFIDUTAFR-UHFFFAOYSA-N 1 2 290.370 3.974 50 0 CHAALO Cc1nc(NCc2ccccc2Cl)c2c([nH+]1)CCC2 ZINC000012016426 567929156 /nfs/dbraw/zinc/92/91/56/567929156.db2.gz UOXIPFIVDKGKAX-UHFFFAOYSA-N 1 2 273.767 3.539 50 0 CHAALO Clc1ccc(C2=CN3CC[NH+]=C3S2)c(Cl)c1 ZINC000002597975 567937735 /nfs/dbraw/zinc/93/77/35/567937735.db2.gz ICOGQWOLFUPOSQ-UHFFFAOYSA-N 1 2 271.172 3.710 50 0 CHAALO COc1ccc(Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000031903301 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3.750 50 0 CHAALO Clc1ccc(C[NH+]2CCSCC2)cc1Cl ZINC000055543495 566906355 /nfs/dbraw/zinc/90/63/55/566906355.db2.gz FYPVUFBDBZDLEF-UHFFFAOYSA-N 1 2 262.205 3.542 50 0 CHAALO Fc1ccc(CNc2ccccc2-n2cc[nH+]c2)cc1F ZINC000036920270 567007780 /nfs/dbraw/zinc/00/77/80/567007780.db2.gz OJZCQXQGXAMYER-UHFFFAOYSA-N 1 2 285.297 3.763 50 0 CHAALO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000065501297 567008524 /nfs/dbraw/zinc/00/85/24/567008524.db2.gz PLQDFHHXYGRSIK-JTQLQIEISA-N 1 2 290.329 3.746 50 0 CHAALO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000065501297 567008533 /nfs/dbraw/zinc/00/85/33/567008533.db2.gz PLQDFHHXYGRSIK-JTQLQIEISA-N 1 2 290.329 3.746 50 0 CHAALO Cc1ccccc1[C@@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C ZINC000080347472 567127901 /nfs/dbraw/zinc/12/79/01/567127901.db2.gz QVVVNLNQWQYDPG-OAHLLOKOSA-N 1 2 257.381 3.595 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1cccs1 ZINC000079501169 567123543 /nfs/dbraw/zinc/12/35/43/567123543.db2.gz DMJOJLRBUJWFCE-UHFFFAOYSA-N 1 2 283.356 3.754 50 0 CHAALO Cc1ccccc1[C@H]([NH2+]Cc1ccn[nH]1)C(C)(C)C ZINC000080347465 567127659 /nfs/dbraw/zinc/12/76/59/567127659.db2.gz QVVVNLNQWQYDPG-HNNXBMFYSA-N 1 2 257.381 3.595 50 0 CHAALO Cc1cc(N2CCO[C@@H](C)C2)[nH+]c2c1cccc2C(C)C ZINC000040024903 567198903 /nfs/dbraw/zinc/19/89/03/567198903.db2.gz JWVGVWVFWRPBCF-AWEZNQCLSA-N 1 2 284.403 3.892 50 0 CHAALO c1ccc(-c2ccccc2NC2=[NH+]CCS2)cc1 ZINC000000098723 567818212 /nfs/dbraw/zinc/81/82/12/567818212.db2.gz DMRHCJDVMSJANJ-UHFFFAOYSA-N 1 2 254.358 3.868 50 0 CHAALO CCc1ccc(OCCCCCn2cc[nH+]c2)cc1 ZINC000002901609 567850684 /nfs/dbraw/zinc/85/06/84/567850684.db2.gz HMISJGAQUBRNMF-UHFFFAOYSA-N 1 2 258.365 3.695 50 0 CHAALO CCOc1ccc([NH2+]C[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004296031 567856727 /nfs/dbraw/zinc/85/67/27/567856727.db2.gz QGTKEDSQUDRCEG-CYBMUJFWSA-N 1 2 263.381 3.702 50 0 CHAALO Fc1ccc(C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000019536801 567877871 /nfs/dbraw/zinc/87/78/71/567877871.db2.gz QBBLAPNBBNWOLZ-UHFFFAOYSA-N 1 2 259.299 3.523 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Cc1c2ccccc2[nH]c1C[N@H+](C)Cc1nccn1C1CC1 ZINC000244708299 570321040 /nfs/dbraw/zinc/32/10/40/570321040.db2.gz KRFSBWXNICYMSA-UHFFFAOYSA-N 1 2 294.402 3.640 50 0 CHAALO Cc1c(CN(C)Cc2[nH+]ccn2C2CC2)[nH]c2ccccc12 ZINC000244708299 570321041 /nfs/dbraw/zinc/32/10/41/570321041.db2.gz KRFSBWXNICYMSA-UHFFFAOYSA-N 1 2 294.402 3.640 50 0 CHAALO COc1ccc([NH2+]CC[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000004054385 570331045 /nfs/dbraw/zinc/33/10/45/570331045.db2.gz BJXLDKJEHCTORC-INIZCTEOSA-N 1 2 291.778 3.884 50 0 CHAALO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000095422798 570371820 /nfs/dbraw/zinc/37/18/20/570371820.db2.gz DNDPRWYHBPIODR-KRWDZBQOSA-N 1 2 292.386 3.685 50 0 CHAALO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000095422798 570371822 /nfs/dbraw/zinc/37/18/22/570371822.db2.gz DNDPRWYHBPIODR-KRWDZBQOSA-N 1 2 292.386 3.685 50 0 CHAALO Cc1nnc([C@H](C)[NH2+][C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774844 570402523 /nfs/dbraw/zinc/40/25/23/570402523.db2.gz BJCNFLWICQBNJU-BONVTDFDSA-N 1 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299.418 3.924 50 0 CHAALO Cc1c(F)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000073392905 329860785 /nfs/dbraw/zinc/86/07/85/329860785.db2.gz ZQDKUIUCQDXEEX-UHFFFAOYSA-N 1 2 295.317 3.572 50 0 CHAALO CC(C)[N@H+](Cc1csnn1)[C@@H](C)c1ccccc1 ZINC000292805063 519663252 /nfs/dbraw/zinc/66/32/52/519663252.db2.gz NZDBLSQDLLMFEU-LBPRGKRZSA-N 1 2 261.394 3.510 50 0 CHAALO CC(C)[N@@H+](Cc1csnn1)[C@@H](C)c1ccccc1 ZINC000292805063 519663254 /nfs/dbraw/zinc/66/32/54/519663254.db2.gz NZDBLSQDLLMFEU-LBPRGKRZSA-N 1 2 261.394 3.510 50 0 CHAALO Cc1nc(C[NH2+]Cc2ccc(Cl)cc2C)oc1C ZINC000220918632 570352018 /nfs/dbraw/zinc/35/20/18/570352018.db2.gz IGJDDXBENIURML-UHFFFAOYSA-N 1 2 264.756 3.543 50 0 CHAALO CC[C@H](c1ccccn1)[NH+](C)Cc1cc(C(C)C)on1 ZINC000252509485 566831633 /nfs/dbraw/zinc/83/16/33/566831633.db2.gz YOPNVNYZWBDXAT-OAHLLOKOSA-N 1 2 273.380 3.776 50 0 CHAALO CC(C)c1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000012740321 566873604 /nfs/dbraw/zinc/87/36/04/566873604.db2.gz OWLOAMCOMZTZBD-UHFFFAOYSA-N 1 2 293.370 3.639 50 0 CHAALO Cc1cc(N)nc(Nc2ccc(Nc3ccccc3)cc2)[nH+]1 ZINC000075156688 566937908 /nfs/dbraw/zinc/93/79/08/566937908.db2.gz UNLMCXXCEGETOH-UHFFFAOYSA-N 1 2 291.358 3.854 50 0 CHAALO c1sc(C2CC2)nc1C[NH+]1CCC(=C2CC2)CC1 ZINC000575607116 566945978 /nfs/dbraw/zinc/94/59/78/566945978.db2.gz VAKCTACKLVPSKG-UHFFFAOYSA-N 1 2 260.406 3.707 50 0 CHAALO CC(C)Cc1ccc(-c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000426415701 566987994 /nfs/dbraw/zinc/98/79/94/566987994.db2.gz YHFPUBMWXLBOON-UHFFFAOYSA-N 1 2 278.359 3.528 50 0 CHAALO CC(C)(C)CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000426550086 566989259 /nfs/dbraw/zinc/98/92/59/566989259.db2.gz UGKQQDFIRCTRLP-MRXNPFEDSA-N 1 2 299.418 3.567 50 0 CHAALO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065564123 567009833 /nfs/dbraw/zinc/00/98/33/567009833.db2.gz UPGXEIVQFSTFLM-UWVGGRQHSA-N 1 2 291.317 3.528 50 0 CHAALO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065564123 567009838 /nfs/dbraw/zinc/00/98/38/567009838.db2.gz 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/nfs/dbraw/zinc/16/72/27/567167227.db2.gz YEXVPVSIPDASRF-JTQLQIEISA-N 1 2 271.813 3.849 50 0 CHAALO C[n+]1c(-c2ccccc2)sc2c1-c1ccccc1C2 ZINC000004263367 567192242 /nfs/dbraw/zinc/19/22/42/567192242.db2.gz NOULZZSZMNRZOI-UHFFFAOYSA-N 1 2 264.373 3.811 50 0 CHAALO COc1ccc(C[C@@H]2CCc3[nH+]cc(C)cc3C2)cc1 ZINC000000086331 567817727 /nfs/dbraw/zinc/81/77/27/567817727.db2.gz APMZPAFYMXPYJH-HNNXBMFYSA-N 1 2 267.372 3.746 50 0 CHAALO C[N@@H+]1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000000122939 567819192 /nfs/dbraw/zinc/81/91/92/567819192.db2.gz UICNNPDZLGFJRO-HDICACEKSA-N 1 2 265.356 3.764 50 0 CHAALO C[N@H+]1[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000000122939 567819194 /nfs/dbraw/zinc/81/91/94/567819194.db2.gz UICNNPDZLGFJRO-HDICACEKSA-N 1 2 265.356 3.764 50 0 CHAALO c1ccc2c(c1)[nH+]c(N1CCCCC1)nc2N1CCCCC1 ZINC000000204123 567822154 /nfs/dbraw/zinc/82/21/54/567822154.db2.gz FBLIPIFFUYCEGY-UHFFFAOYSA-N 1 2 296.418 3.610 50 0 CHAALO COc1ccc(-c2cn3c4ccccc4n(C)c3[nH+]2)cc1 ZINC000000349596 567826224 /nfs/dbraw/zinc/82/62/24/567826224.db2.gz VGDURKRTOLABPC-UHFFFAOYSA-N 1 2 277.327 3.502 50 0 CHAALO Cc1[nH+]c[nH]c1CSCc1ccc(Cl)cc1 ZINC000000347471 567826357 /nfs/dbraw/zinc/82/63/57/567826357.db2.gz OLNROQBEBPDIFI-UHFFFAOYSA-N 1 2 252.770 3.805 50 0 CHAALO Cc1cc2[nH+]cn(Cc3ccc(F)cc3)c2cc1C ZINC000000572554 567833971 /nfs/dbraw/zinc/83/39/71/567833971.db2.gz LWXNLJKEAXJWAU-UHFFFAOYSA-N 1 2 254.308 3.841 50 0 CHAALO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)n1 ZINC000065286180 567876262 /nfs/dbraw/zinc/87/62/62/567876262.db2.gz DMMKLPKVCMTKJZ-AWEZNQCLSA-N 1 2 291.782 3.759 50 0 CHAALO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)n1 ZINC000065286180 567876263 /nfs/dbraw/zinc/87/62/63/567876263.db2.gz DMMKLPKVCMTKJZ-AWEZNQCLSA-N 1 2 291.782 3.759 50 0 CHAALO CCn1ccnc1CN(C)c1cc(C)c2cc(C)ccc2[nH+]1 ZINC000055576337 567894421 /nfs/dbraw/zinc/89/44/21/567894421.db2.gz ZTGZEPBHZQMFDK-UHFFFAOYSA-N 1 2 294.402 3.704 50 0 CHAALO COc1cc(C)c(-c2ccc(Cn3cc[nH+]c3)cn2)c(C)c1 ZINC000065421595 567898896 /nfs/dbraw/zinc/89/88/96/567898896.db2.gz IBDDORAZEHORRW-UHFFFAOYSA-N 1 2 293.370 3.619 50 0 CHAALO CC(=O)Nc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000065452137 567899162 /nfs/dbraw/zinc/89/91/62/567899162.db2.gz CWWHEDBJIANMIT-UHFFFAOYSA-N 1 2 291.354 3.557 50 0 CHAALO CCCCc1c(-c2ccccc2)ncn1CCn1cc[nH+]c1 ZINC000065466014 567899557 /nfs/dbraw/zinc/89/95/57/567899557.db2.gz KHIUAIBQLWRYSM-UHFFFAOYSA-N 1 2 294.402 3.789 50 0 CHAALO c1c[nH+]c(-c2cnc(-c3cccc4ccccc43)nc2)[nH]1 ZINC000067713055 567900025 /nfs/dbraw/zinc/90/00/25/567900025.db2.gz QAUZRSKKQXVDLO-UHFFFAOYSA-N 1 2 272.311 3.687 50 0 CHAALO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH]c2ccc(F)cc2[nH+]1 ZINC000067695911 567900357 /nfs/dbraw/zinc/90/03/57/567900357.db2.gz HBKUIUNKWHYKCS-JTQLQIEISA-N 1 2 298.317 3.777 50 0 CHAALO Cc1c2ccccc2oc1-c1nccn1CCn1cc[nH+]c1 ZINC000067867282 567900797 /nfs/dbraw/zinc/90/07/97/567900797.db2.gz CMNVDJZITMUWLW-UHFFFAOYSA-N 1 2 292.342 3.501 50 0 CHAALO COc1cc(C)c(-c2nc(Cn3cc[nH+]c3)c(C)o2)cc1C ZINC000067867677 567900809 /nfs/dbraw/zinc/90/08/09/567900809.db2.gz MENLBLFESPVBTR-UHFFFAOYSA-N 1 2 297.358 3.520 50 0 CHAALO Cc1csc(Cn2cc[nH+]c2[C@@H](C)c2ccccc2)n1 ZINC000071753551 567901706 /nfs/dbraw/zinc/90/17/06/567901706.db2.gz QOIBSEHTOGYIRZ-ZDUSSCGKSA-N 1 2 283.400 3.848 50 0 CHAALO C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2)oc1=S ZINC000000074177 567907465 /nfs/dbraw/zinc/90/74/65/567907465.db2.gz YZQARGPSRQHAFX-GFCCVEGCSA-N 1 2 289.404 3.704 50 0 CHAALO C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2)oc1=S ZINC000000074177 567907466 /nfs/dbraw/zinc/90/74/66/567907466.db2.gz YZQARGPSRQHAFX-GFCCVEGCSA-N 1 2 289.404 3.704 50 0 CHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC(C)(C)C)c(C)c1 ZINC000000425604 567930414 /nfs/dbraw/zinc/93/04/14/567930414.db2.gz SVWBHEWMNZPLKF-UHFFFAOYSA-N 1 2 295.390 3.643 50 0 CHAALO Cc1cc2[nH+]cn(CCc3ccccc3)c2cc1C ZINC000000572720 567936458 /nfs/dbraw/zinc/93/64/58/567936458.db2.gz RWJOVTSHEMTVJU-UHFFFAOYSA-N 1 2 250.345 3.896 50 0 CHAALO Cc1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000000499561 567939956 /nfs/dbraw/zinc/93/99/56/567939956.db2.gz OHGUYWPHYZYOPF-UHFFFAOYSA-N 1 2 254.358 3.935 50 0 CHAALO NC(=O)[C@H](c1ccccc1)[N@H+](Cc1cccs1)C1CC1 ZINC000032777916 570221874 /nfs/dbraw/zinc/22/18/74/570221874.db2.gz USNZTAHRJYQLPM-HNNXBMFYSA-N 1 2 286.400 3.989 50 0 CHAALO NC(=O)[C@H](c1ccccc1)[N@@H+](Cc1cccs1)C1CC1 ZINC000032777916 570221875 /nfs/dbraw/zinc/22/18/75/570221875.db2.gz USNZTAHRJYQLPM-HNNXBMFYSA-N 1 2 286.400 3.989 50 0 CHAALO Cc1ccsc1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025263863 570229826 /nfs/dbraw/zinc/22/98/26/570229826.db2.gz MDNXNLKTEHGZGE-UHFFFAOYSA-N 1 2 297.383 3.554 50 0 CHAALO Cn1cc[nH+]c1CSc1nc(-c2ccccc2)cs1 ZINC000048872712 570299400 /nfs/dbraw/zinc/29/94/00/570299400.db2.gz KXUGWSKSZOGQMT-UHFFFAOYSA-N 1 2 287.413 3.836 50 0 CHAALO C[C@H]1c2cc(F)ccc2CC[N@H+]1Cc1cc(C2CC2)on1 ZINC000244817199 570321031 /nfs/dbraw/zinc/32/10/31/570321031.db2.gz SVXVIVKFBGANCH-NSHDSACASA-N 1 2 286.350 3.810 50 0 CHAALO C[C@H]1c2cc(F)ccc2CC[N@@H+]1Cc1cc(C2CC2)on1 ZINC000244817199 570321033 /nfs/dbraw/zinc/32/10/33/570321033.db2.gz SVXVIVKFBGANCH-NSHDSACASA-N 1 2 286.350 3.810 50 0 CHAALO Cc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000012854640 570341256 /nfs/dbraw/zinc/34/12/56/570341256.db2.gz VNUDQISUFCZVIE-UHFFFAOYSA-N 1 2 255.365 3.829 50 0 CHAALO CCC(=O)Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1 ZINC000015863644 570345105 /nfs/dbraw/zinc/34/51/05/570345105.db2.gz VLIVQHDWVIHACP-UHFFFAOYSA-N 1 2 293.370 3.697 50 0 CHAALO CC[N@@H+](Cc1csc(C)n1)[C@H](C)c1cccc(O)c1 ZINC000079020192 570396065 /nfs/dbraw/zinc/39/60/65/570396065.db2.gz UCNSEHXGZHNSQW-LLVKDONJSA-N 1 2 276.405 3.740 50 0 CHAALO CC[N@H+](Cc1csc(C)n1)[C@H](C)c1cccc(O)c1 ZINC000079020192 570396063 /nfs/dbraw/zinc/39/60/63/570396063.db2.gz UCNSEHXGZHNSQW-LLVKDONJSA-N 1 2 276.405 3.740 50 0 CHAALO Fc1ccccc1OCCCCCCn1cc[nH+]c1 ZINC000023115383 1119261664 /nfs/dbraw/zinc/26/16/64/1119261664.db2.gz FKDLJGKHXIFCQH-UHFFFAOYSA-N 1 2 262.328 3.662 50 0 CHAALO CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729562 1128931799 /nfs/dbraw/zinc/93/17/99/1128931799.db2.gz RTVJWYVVYJTZSQ-QGZVFWFLSA-N 1 2 299.418 3.926 50 0 CHAALO CCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729562 1128931803 /nfs/dbraw/zinc/93/18/03/1128931803.db2.gz RTVJWYVVYJTZSQ-QGZVFWFLSA-N 1 2 299.418 3.926 50 0 CHAALO CCN(CC)c1nc(N2CCCCCC2)c2ccccc2[nH+]1 ZINC000041149295 1121262586 /nfs/dbraw/zinc/26/25/86/1121262586.db2.gz PGEURBOAYCWRCX-UHFFFAOYSA-N 1 2 298.434 3.856 50 0 CHAALO COc1cccc(OCCCCCCn2cc[nH+]c2)c1 ZINC000016662187 1129842285 /nfs/dbraw/zinc/84/22/85/1129842285.db2.gz ANWNLILJVUFAAA-UHFFFAOYSA-N 1 2 274.364 3.531 50 0 CHAALO c1cn(CCOc2ccccc2NCc2ccsc2)c[nH+]1 ZINC000096482800 230380562 /nfs/dbraw/zinc/38/05/62/230380562.db2.gz CPCNBIYMWKYKBU-UHFFFAOYSA-N 1 2 299.399 3.636 50 0 CHAALO Cc1cc(N[C@H](c2cccc(F)c2)c2ccccn2)nc[nH+]1 ZINC000096487426 230382013 /nfs/dbraw/zinc/38/20/13/230382013.db2.gz DQZLELHKNBIXPQ-QGZVFWFLSA-N 1 2 294.333 3.521 50 0 CHAALO CCC[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OC(C)(C)C ZINC000095943448 185037400 /nfs/dbraw/zinc/03/74/00/185037400.db2.gz AEHZIUTZCQPDLH-GXTWGEPZSA-N 1 2 297.464 3.779 50 0 CHAALO CCc1cc(N(C)[C@@H](C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000095959038 185043637 /nfs/dbraw/zinc/04/36/37/185043637.db2.gz PNSBBXAUWYTPGR-ZDUSSCGKSA-N 1 2 284.407 3.582 50 0 CHAALO CCSc1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)cc1 ZINC000095984889 185055303 /nfs/dbraw/zinc/05/53/03/185055303.db2.gz BZNCPYCCEZOTIQ-JTQLQIEISA-N 1 2 293.461 3.809 50 0 CHAALO CSCc1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000097022666 185153930 /nfs/dbraw/zinc/15/39/30/185153930.db2.gz ACAQJMDMHMFVRT-UHFFFAOYSA-N 1 2 267.785 3.538 50 0 CHAALO Nc1nc(NC2CCCCC2)cc(-c2cccs2)[nH+]1 ZINC000214081970 189690656 /nfs/dbraw/zinc/69/06/56/189690656.db2.gz VVZCKBSIEHRXSS-UHFFFAOYSA-N 1 2 274.393 3.532 50 0 CHAALO O=C1C/C(=C\c2ccccc2C(F)(F)F)[NH+]2CCC1CC2 ZINC000005764076 170138210 /nfs/dbraw/zinc/13/82/10/170138210.db2.gz HKCOQCXWKZTBRT-UKTHLTGXSA-N 1 2 295.304 3.731 50 0 CHAALO Cc1c(C)n(-c2ccccn2)c2nc[nH+]c(NCC(C)C)c12 ZINC000006661167 170223565 /nfs/dbraw/zinc/22/35/65/170223565.db2.gz MGHWSKMVIRNQCX-UHFFFAOYSA-N 1 2 295.390 3.500 50 0 CHAALO CCCc1[nH+]c2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000006701784 170229415 /nfs/dbraw/zinc/22/94/15/170229415.db2.gz VBLZAMGDWCTDAH-UHFFFAOYSA-N 1 2 290.370 3.913 50 0 CHAALO CCCOc1ccc(Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000008614922 170342951 /nfs/dbraw/zinc/34/29/51/170342951.db2.gz VHRTVVVGHIUHDN-UHFFFAOYSA-N 1 2 257.337 3.626 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)no1 ZINC000021720438 171320427 /nfs/dbraw/zinc/32/04/27/171320427.db2.gz SQAPKHBXEJZLAN-OAHLLOKOSA-N 1 2 271.364 3.530 50 0 CHAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cccnc2)no1 ZINC000021720438 171320429 /nfs/dbraw/zinc/32/04/29/171320429.db2.gz SQAPKHBXEJZLAN-OAHLLOKOSA-N 1 2 271.364 3.530 50 0 CHAALO Cc1cc(N(C)Cc2ccco2)[nH+]c2ccccc12 ZINC000040160666 174196151 /nfs/dbraw/zinc/19/61/51/174196151.db2.gz QJTXJIIHUZUAFX-UHFFFAOYSA-N 1 2 252.317 3.773 50 0 CHAALO C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 ZINC000045735541 175382563 /nfs/dbraw/zinc/38/25/63/175382563.db2.gz VILWQXBSSNCRSR-UHFFFAOYSA-N 1 2 286.306 3.706 50 0 CHAALO C[N@H+](Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 ZINC000045735541 175382564 /nfs/dbraw/zinc/38/25/64/175382564.db2.gz VILWQXBSSNCRSR-UHFFFAOYSA-N 1 2 286.306 3.706 50 0 CHAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CCC1 ZINC000050490449 175516524 /nfs/dbraw/zinc/51/65/24/175516524.db2.gz KXLKQDIWHQWFLE-UHFFFAOYSA-N 1 2 268.316 3.613 50 0 CHAALO Cc1cc(C2CCC2)nc(N[C@@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000071750619 176259406 /nfs/dbraw/zinc/25/94/06/176259406.db2.gz MCWGRWCTIIFCQD-OAHLLOKOSA-N 1 2 299.422 3.595 50 0 CHAALO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCCc3ccccc32)o1 ZINC000072167260 176331724 /nfs/dbraw/zinc/33/17/24/176331724.db2.gz CXAMZNIDWITUMN-OAHLLOKOSA-N 1 2 285.391 3.702 50 0 CHAALO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)o1 ZINC000072167260 176331725 /nfs/dbraw/zinc/33/17/25/176331725.db2.gz CXAMZNIDWITUMN-OAHLLOKOSA-N 1 2 285.391 3.702 50 0 CHAALO c1cn(CC[C@@H]2CCOC2)c(-c2ccnc3ccccc32)[nH+]1 ZINC000077285062 177248738 /nfs/dbraw/zinc/24/87/38/177248738.db2.gz GBGXQUFHBJMAPS-CQSZACIVSA-N 1 2 293.370 3.525 50 0 CHAALO CCc1nc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)no1 ZINC000069620467 327100310 /nfs/dbraw/zinc/10/03/10/327100310.db2.gz PWKKHWRZTIRBIV-HNNXBMFYSA-N 1 2 291.370 3.648 50 0 CHAALO CCn1cc[nH+]c1CNc1cc(C2CCCCCC2)[nH]n1 ZINC000083843635 566865646 /nfs/dbraw/zinc/86/56/46/566865646.db2.gz AVRRFWYDCDHTJH-UHFFFAOYSA-N 1 2 287.411 3.676 50 0 CHAALO CCSc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000016623435 566874452 /nfs/dbraw/zinc/87/44/52/566874452.db2.gz XHOSXEOCINOWKD-UHFFFAOYSA-N 1 2 287.388 3.801 50 0 CHAALO Cc1oc(-c2ccc(C)cc2)nc1C[NH+]1CCSCC1 ZINC000064553618 566982609 /nfs/dbraw/zinc/98/26/09/566982609.db2.gz WMTWODCMOXUNCU-UHFFFAOYSA-N 1 2 288.416 3.507 50 0 CHAALO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2scnc2C)o1 ZINC000093819141 567124198 /nfs/dbraw/zinc/12/41/98/567124198.db2.gz QHYASDZNXZEGFO-GFCCVEGCSA-N 1 2 294.445 3.643 50 0 CHAALO Cc1ccc([C@H]2CSCC[N@H+]2Cc2scnc2C)o1 ZINC000093819141 567124204 /nfs/dbraw/zinc/12/42/04/567124204.db2.gz QHYASDZNXZEGFO-GFCCVEGCSA-N 1 2 294.445 3.643 50 0 CHAALO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccn1 ZINC000095349353 567128828 /nfs/dbraw/zinc/12/88/28/567128828.db2.gz RDOQRUWYOYYMFD-DNVCBOLYSA-N 1 2 289.382 3.917 50 0 CHAALO Cc1nc(C[N@@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C ZINC000095455784 567134195 /nfs/dbraw/zinc/13/41/95/567134195.db2.gz HTCQZYJMNAHINT-PWSUYJOCSA-N 1 2 288.366 3.938 50 0 CHAALO Cc1nc(C[N@H+]2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C ZINC000095455784 567134200 /nfs/dbraw/zinc/13/42/00/567134200.db2.gz HTCQZYJMNAHINT-PWSUYJOCSA-N 1 2 288.366 3.938 50 0 CHAALO Cc1[nH+]c2ccc(-c3cnc(N)s3)cc2n1C(C)(C)C ZINC000095629698 567136289 /nfs/dbraw/zinc/13/62/89/567136289.db2.gz YNNNRPOHINNDLC-UHFFFAOYSA-N 1 2 286.404 3.805 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000037898538 567136527 /nfs/dbraw/zinc/13/65/27/567136527.db2.gz YRIKOKYLMYMRBP-VIFPVBQESA-N 1 2 283.297 3.588 50 0 CHAALO Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000004025486 567185048 /nfs/dbraw/zinc/18/50/48/567185048.db2.gz YTKRGRUUYODEAS-UHFFFAOYSA-N 1 2 263.344 3.793 50 0 CHAALO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000042132777 567206137 /nfs/dbraw/zinc/20/61/37/567206137.db2.gz OKPXCNSSCFYHMC-UHFFFAOYSA-N 1 2 282.746 3.716 50 0 CHAALO Cc1noc(C)c1C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000042132777 567206143 /nfs/dbraw/zinc/20/61/43/567206143.db2.gz OKPXCNSSCFYHMC-UHFFFAOYSA-N 1 2 282.746 3.716 50 0 CHAALO CCN(CC)C(=S)SCc1cn2c(cccc2C)[nH+]1 ZINC000000078802 567817546 /nfs/dbraw/zinc/81/75/46/567817546.db2.gz JMSJFZFMWJJKSD-UHFFFAOYSA-N 1 2 293.461 3.503 50 0 CHAALO COc1ccc(SCCc2ccc(C)[nH+]c2)cc1 ZINC000000185229 567821781 /nfs/dbraw/zinc/82/17/81/567821781.db2.gz OEVLWBMBHHLTNK-UHFFFAOYSA-N 1 2 259.374 3.733 50 0 CHAALO c1ccc(OCCn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000004385565 567857399 /nfs/dbraw/zinc/85/73/99/567857399.db2.gz BGDILPKAWCJMNY-UHFFFAOYSA-N 1 2 278.355 3.993 50 0 CHAALO COc1ccc(Nc2nc(C)[nH+]c3c2CCC3)cc1Cl ZINC000012016518 567862399 /nfs/dbraw/zinc/86/23/99/567862399.db2.gz JPJXHXHYHAFZDE-UHFFFAOYSA-N 1 2 289.766 3.679 50 0 CHAALO Brc1cccc(Oc2cc[nH+]cc2)c1 ZINC000019432273 567877855 /nfs/dbraw/zinc/87/78/55/567877855.db2.gz BOSNYMCOXXOGSZ-UHFFFAOYSA-N 1 2 250.095 3.636 50 0 CHAALO CN1CC[NH+](Cc2ccccc2Sc2ccccc2)CC1 ZINC000019802183 567879230 /nfs/dbraw/zinc/87/92/30/567879230.db2.gz OEBSPMCYVVRUNV-UHFFFAOYSA-N 1 2 298.455 3.585 50 0 CHAALO CCOc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000029479631 567884255 /nfs/dbraw/zinc/88/42/55/567884255.db2.gz SCPCJSHPLBJOPP-UHFFFAOYSA-N 1 2 299.399 3.957 50 0 CHAALO Cc1[nH]cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)[nH+]1 ZINC000032516009 567886011 /nfs/dbraw/zinc/88/60/11/567886011.db2.gz QYLSOZZFCKNDBT-UHFFFAOYSA-N 1 2 285.391 3.644 50 0 CHAALO CCCNc1cc[nH+]c2c(OC(F)(F)F)cccc12 ZINC000050843598 567893972 /nfs/dbraw/zinc/89/39/72/567893972.db2.gz ZEIFCEZWJSBVGT-UHFFFAOYSA-N 1 2 270.254 3.955 50 0 CHAALO CC=CC=CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000058150138 567895588 /nfs/dbraw/zinc/89/55/88/567895588.db2.gz DCHWSXTVZJYIRB-CRBCFSCISA-N 1 2 281.359 3.901 50 0 CHAALO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)Cc1ccco1 ZINC000058355996 567896071 /nfs/dbraw/zinc/89/60/71/567896071.db2.gz MBPSUASWBXLVMU-JTQLQIEISA-N 1 2 289.360 3.584 50 0 CHAALO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)Cc1ccco1 ZINC000058355996 567896072 /nfs/dbraw/zinc/89/60/72/567896072.db2.gz MBPSUASWBXLVMU-JTQLQIEISA-N 1 2 289.360 3.584 50 0 CHAALO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)C1CC1 ZINC000061721455 567897203 /nfs/dbraw/zinc/89/72/03/567897203.db2.gz DNSRHFPOBSDHRT-UHFFFAOYSA-N 1 2 283.375 3.959 50 0 CHAALO CC[C@@H](C)N(C(=O)c1ccc2[nH+]ccn2c1)C1CCCC1 ZINC000065508858 567899572 /nfs/dbraw/zinc/89/95/72/567899572.db2.gz NEVQZJPMRVHFOM-CYBMUJFWSA-N 1 2 285.391 3.518 50 0 CHAALO Cc1nc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)co1 ZINC000072431862 567903879 /nfs/dbraw/zinc/90/38/79/567903879.db2.gz YHDAVQLVUQCPKV-INIZCTEOSA-N 1 2 274.339 3.849 50 0 CHAALO Cc1nc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)co1 ZINC000072431862 567903880 /nfs/dbraw/zinc/90/38/80/567903880.db2.gz YHDAVQLVUQCPKV-INIZCTEOSA-N 1 2 274.339 3.849 50 0 CHAALO CC1=C[C@@H](c2ccccc2)n2c3ccccc3[nH+]c2N1 ZINC000100711228 567913732 /nfs/dbraw/zinc/91/37/32/567913732.db2.gz ULQPGCHZLSRKSF-INIZCTEOSA-N 1 2 261.328 3.955 50 0 CHAALO Cc1ccc2cc(C)c(NCc3cccnc3)[nH+]c2c1 ZINC000000191194 567924920 /nfs/dbraw/zinc/92/49/20/567924920.db2.gz NJXUISTVTNNJHJ-UHFFFAOYSA-N 1 2 263.344 3.859 50 0 CHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCC(C)C)c(C)c1 ZINC000000535945 567942877 /nfs/dbraw/zinc/94/28/77/567942877.db2.gz OAUKNFPTJPPADK-UHFFFAOYSA-N 1 2 295.390 3.500 50 0 CHAALO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1c(F)ccc(F)c1F ZINC000216220356 567947701 /nfs/dbraw/zinc/94/77/01/567947701.db2.gz IHSNSLZIDQEPSS-JTQLQIEISA-N 1 2 297.324 3.637 50 0 CHAALO Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1c(F)ccc(F)c1F ZINC000216220356 567947703 /nfs/dbraw/zinc/94/77/03/567947703.db2.gz IHSNSLZIDQEPSS-JTQLQIEISA-N 1 2 297.324 3.637 50 0 CHAALO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1c(F)ccc(F)c1F ZINC000216220315 567947759 /nfs/dbraw/zinc/94/77/59/567947759.db2.gz IHSNSLZIDQEPSS-SNVBAGLBSA-N 1 2 297.324 3.637 50 0 CHAALO Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1c(F)ccc(F)c1F ZINC000216220315 567947761 /nfs/dbraw/zinc/94/77/61/567947761.db2.gz IHSNSLZIDQEPSS-SNVBAGLBSA-N 1 2 297.324 3.637 50 0 CHAALO Cc1ccc([C@@H]2C[N@H+](CCC(F)(F)F)CCO2)c(C)c1 ZINC000225431921 567953357 /nfs/dbraw/zinc/95/33/57/567953357.db2.gz IVGAGQFJDYONSM-AWEZNQCLSA-N 1 2 287.325 3.629 50 0 CHAALO Cc1ccc([C@@H]2C[N@@H+](CCC(F)(F)F)CCO2)c(C)c1 ZINC000225431921 567953358 /nfs/dbraw/zinc/95/33/58/567953358.db2.gz IVGAGQFJDYONSM-AWEZNQCLSA-N 1 2 287.325 3.629 50 0 CHAALO CCc1c[nH+]c(C)nc1N[C@H](c1ccccn1)C(C)C ZINC000065529973 570244507 /nfs/dbraw/zinc/24/45/07/570244507.db2.gz QTILIVVFKRHIBS-HNNXBMFYSA-N 1 2 270.380 3.552 50 0 CHAALO C[N@H+](Cc1ccc2ncccc2c1)Cc1ccncc1Cl ZINC000215845017 570304081 /nfs/dbraw/zinc/30/40/81/570304081.db2.gz QATZFYXBZWJZQM-UHFFFAOYSA-N 1 2 297.789 3.915 50 0 CHAALO C[N@@H+](Cc1ccc2ncccc2c1)Cc1ccncc1Cl ZINC000215845017 570304083 /nfs/dbraw/zinc/30/40/83/570304083.db2.gz QATZFYXBZWJZQM-UHFFFAOYSA-N 1 2 297.789 3.915 50 0 CHAALO Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1C ZINC000216130218 570305206 /nfs/dbraw/zinc/30/52/06/570305206.db2.gz HKXXNFJGTOMUIW-UHFFFAOYSA-N 1 2 263.344 3.610 50 0 CHAALO CC(C)c1cc(C[N@H+](Cc2ccc(O)cc2)C2CC2)no1 ZINC000244734734 570321072 /nfs/dbraw/zinc/32/10/72/570321072.db2.gz NKYIOAHSVYCYEO-UHFFFAOYSA-N 1 2 286.375 3.668 50 0 CHAALO CC(C)c1cc(C[N@@H+](Cc2ccc(O)cc2)C2CC2)no1 ZINC000244734734 570321073 /nfs/dbraw/zinc/32/10/73/570321073.db2.gz NKYIOAHSVYCYEO-UHFFFAOYSA-N 1 2 286.375 3.668 50 0 CHAALO Cc1cccn2cc(CNc3cccc(Cl)c3)[nH+]c12 ZINC000001430011 570335815 /nfs/dbraw/zinc/33/58/15/570335815.db2.gz BUHFBQSQFTZQLU-UHFFFAOYSA-N 1 2 271.751 3.908 50 0 CHAALO C[C@@H](Nc1cccc(-c2[nH+]ccn2C)c1)C1CCC1 ZINC000170616071 570363232 /nfs/dbraw/zinc/36/32/32/570363232.db2.gz YRIUKLGQEGBNOR-GFCCVEGCSA-N 1 2 255.365 3.688 50 0 CHAALO CC(C)(C)C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000054667402 570375107 /nfs/dbraw/zinc/37/51/07/570375107.db2.gz FNKFVKHGTLSIIL-UHFFFAOYSA-N 1 2 297.402 3.871 50 0 CHAALO Cc1nnc(C[N@H+](C)[C@H](c2ccccc2Cl)C(C)C)o1 ZINC000079097387 570396535 /nfs/dbraw/zinc/39/65/35/570396535.db2.gz WJGYNXSJZGKMTR-HNNXBMFYSA-N 1 2 293.798 3.861 50 0 CHAALO Cc1nnc(C[N@@H+](C)[C@H](c2ccccc2Cl)C(C)C)o1 ZINC000079097387 570396532 /nfs/dbraw/zinc/39/65/32/570396532.db2.gz WJGYNXSJZGKMTR-HNNXBMFYSA-N 1 2 293.798 3.861 50 0 CHAALO CCc1ccsc1C(=O)N(C)c1ccc2[nH]c(C)[nH+]c2c1 ZINC000079096846 570396544 /nfs/dbraw/zinc/39/65/44/570396544.db2.gz MZFKMJZUZCTCNI-UHFFFAOYSA-N 1 2 299.399 3.772 50 0 CHAALO C[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000069848740 570402958 /nfs/dbraw/zinc/40/29/58/570402958.db2.gz CRGYPUAGCUURNI-CQSZACIVSA-N 1 2 296.370 3.889 50 0 CHAALO CC(C)c1noc(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1 ZINC000065591536 1126856528 /nfs/dbraw/zinc/85/65/28/1126856528.db2.gz ASHVLFIKZGQBJS-SNVBAGLBSA-N 1 2 279.771 3.697 50 0 CHAALO Cc1cc(NC(=O)c2cccc(Cl)c2Cl)cc[nH+]1 ZINC000012620369 1127905379 /nfs/dbraw/zinc/90/53/79/1127905379.db2.gz GDNMOQMADDDGBC-UHFFFAOYSA-N 1 2 281.142 3.949 50 0 CHAALO CSc1ccc2[nH+]c(NC[C@H]3CCCO3)cc(C)c2c1 ZINC000023634757 1119996456 /nfs/dbraw/zinc/99/64/56/1119996456.db2.gz YCUGPXLRDDQLRM-GFCCVEGCSA-N 1 2 288.416 3.856 50 0 CHAALO CCN(CC)c1nc(N2CCCCCC2)[nH+]c2ccccc21 ZINC000041147996 1121262195 /nfs/dbraw/zinc/26/21/95/1121262195.db2.gz HAIPUBRWXSTIFN-UHFFFAOYSA-N 1 2 298.434 3.856 50 0 CHAALO Cc1[nH+]ccc(Oc2cccc(C(F)(F)F)c2)c1O ZINC000005798652 1121454137 /nfs/dbraw/zinc/45/41/37/1121454137.db2.gz WDGCKTBDIAERHS-UHFFFAOYSA-N 1 2 269.222 3.907 50 0 CHAALO C[N@H+](Cc1nccs1)Cc1cccc(-c2cccnc2)c1 ZINC000093582358 1121728486 /nfs/dbraw/zinc/72/84/86/1121728486.db2.gz AKKDPMANOCAUAV-UHFFFAOYSA-N 1 2 295.411 3.837 50 0 CHAALO C[N@@H+](Cc1nccs1)Cc1cccc(-c2cccnc2)c1 ZINC000093582358 1121728491 /nfs/dbraw/zinc/72/84/91/1121728491.db2.gz AKKDPMANOCAUAV-UHFFFAOYSA-N 1 2 295.411 3.837 50 0 CHAALO CCCc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)o1 ZINC000952861243 1132015183 /nfs/dbraw/zinc/01/51/83/1132015183.db2.gz YPHGAEYZSWNTQT-SFHVURJKSA-N 1 2 285.387 3.806 50 0 CHAALO CCCc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)o1 ZINC000952861243 1132015191 /nfs/dbraw/zinc/01/51/91/1132015191.db2.gz YPHGAEYZSWNTQT-SFHVURJKSA-N 1 2 285.387 3.806 50 0 CHAALO CC[C@@H](c1ccccn1)[N@H+](C)Cc1cnccc1Cl ZINC000952864237 1132017766 /nfs/dbraw/zinc/01/77/66/1132017766.db2.gz JEYMBGXJBKAPLX-HNNXBMFYSA-N 1 2 275.783 3.713 50 0 CHAALO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cnccc1Cl ZINC000952864237 1132017774 /nfs/dbraw/zinc/01/77/74/1132017774.db2.gz JEYMBGXJBKAPLX-HNNXBMFYSA-N 1 2 275.783 3.713 50 0 CHAALO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(F)c1F ZINC000096007876 185063648 /nfs/dbraw/zinc/06/36/48/185063648.db2.gz MZFCRBUNJWBAOF-LBPRGKRZSA-N 1 2 289.325 3.748 50 0 CHAALO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(F)c1F ZINC000096007876 185063650 /nfs/dbraw/zinc/06/36/50/185063650.db2.gz MZFCRBUNJWBAOF-LBPRGKRZSA-N 1 2 289.325 3.748 50 0 CHAALO CCC[C@H](C)c1cn(Cc2[nH]c3cc(C)c(C)cc3[nH+]2)nn1 ZINC000091382021 180143675 /nfs/dbraw/zinc/14/36/75/180143675.db2.gz FKJOAOLDIYSZMF-NSHDSACASA-N 1 2 297.406 3.723 50 0 CHAALO Nc1ccc(-c2[nH]c3ccc(N)c(Cl)c3[nH+]2)cc1Cl ZINC000001508898 169710762 /nfs/dbraw/zinc/71/07/62/169710762.db2.gz FNWVNNRTBTYKMO-UHFFFAOYSA-N 1 2 293.157 3.701 50 0 CHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C)CC1 ZINC000007389260 170282403 /nfs/dbraw/zinc/28/24/03/170282403.db2.gz PGNPCILAJMKQEW-NSHDSACASA-N 1 2 298.789 3.538 50 0 CHAALO C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccco1 ZINC000008198405 170324154 /nfs/dbraw/zinc/32/41/54/170324154.db2.gz LMZOAJMPRRZFGX-UHFFFAOYSA-N 1 2 294.354 3.503 50 0 CHAALO C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccco1 ZINC000008198405 170324155 /nfs/dbraw/zinc/32/41/55/170324155.db2.gz LMZOAJMPRRZFGX-UHFFFAOYSA-N 1 2 294.354 3.503 50 0 CHAALO Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000009256227 170368970 /nfs/dbraw/zinc/36/89/70/170368970.db2.gz WRWHBJUSGUMPMG-UHFFFAOYSA-N 1 2 293.326 3.606 50 0 CHAALO CCc1cccc2c(C(=O)C[N@H+](C)Cc3ccco3)c[nH]c21 ZINC000021671727 171318962 /nfs/dbraw/zinc/31/89/62/171318962.db2.gz JLVXVRFIMWYNAA-UHFFFAOYSA-N 1 2 296.370 3.638 50 0 CHAALO CCc1cccc2c(C(=O)C[N@@H+](C)Cc3ccco3)c[nH]c21 ZINC000021671727 171318964 /nfs/dbraw/zinc/31/89/64/171318964.db2.gz JLVXVRFIMWYNAA-UHFFFAOYSA-N 1 2 296.370 3.638 50 0 CHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)no1 ZINC000021720648 171320421 /nfs/dbraw/zinc/32/04/21/171320421.db2.gz QVGRIZICSODTRH-INIZCTEOSA-N 1 2 286.375 3.841 50 0 CHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2)no1 ZINC000021720648 171320422 /nfs/dbraw/zinc/32/04/22/171320422.db2.gz QVGRIZICSODTRH-INIZCTEOSA-N 1 2 286.375 3.841 50 0 CHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)on1 ZINC000035511236 172242363 /nfs/dbraw/zinc/24/23/63/172242363.db2.gz XGVUHKVTZSJGOZ-CQSZACIVSA-N 1 2 278.302 3.598 50 0 CHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2F)on1 ZINC000035511236 172242364 /nfs/dbraw/zinc/24/23/64/172242364.db2.gz XGVUHKVTZSJGOZ-CQSZACIVSA-N 1 2 278.302 3.598 50 0 CHAALO CC(C)(C)c1nc(C[NH+]2CCC(c3ccccc3)CC2)no1 ZINC000040153462 174194526 /nfs/dbraw/zinc/19/45/26/174194526.db2.gz HIMDNUATGWBORL-UHFFFAOYSA-N 1 2 299.418 3.747 50 0 CHAALO C[C@@H](O)CCn1cc[nH+]c1-c1cccc(-c2ccco2)c1 ZINC000067908520 175802009 /nfs/dbraw/zinc/80/20/09/175802009.db2.gz MZLOEMNOSUZMOM-CYBMUJFWSA-N 1 2 282.343 3.581 50 0 CHAALO Cc1[nH]ncc1C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000071793555 176263896 /nfs/dbraw/zinc/26/38/96/176263896.db2.gz ROJVPKYPECPZTG-UHFFFAOYSA-N 1 2 297.324 3.762 50 0 CHAALO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1C ZINC000097111496 567904744 /nfs/dbraw/zinc/90/47/44/567904744.db2.gz UVCIRNSLYKMXIZ-VIFPVBQESA-N 1 2 298.843 3.504 50 0 CHAALO c1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]32)cc1 ZINC000263586424 566856668 /nfs/dbraw/zinc/85/66/68/566856668.db2.gz UHJYLWWXVLLREL-SFHVURJKSA-N 1 2 264.372 3.629 50 0 biogenic CHAALO c1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@H]32)cc1 ZINC000263586424 566856673 /nfs/dbraw/zinc/85/66/73/566856673.db2.gz UHJYLWWXVLLREL-SFHVURJKSA-N 1 2 264.372 3.629 50 0 biogenic CHAALO CC[N@@H+]1C=CC(=Nc2ccc(N(C)C)cc2)c2ccccc21 ZINC000254295198 566923459 /nfs/dbraw/zinc/92/34/59/566923459.db2.gz RCSVDCBTVSJBPQ-UHFFFAOYSA-N 1 2 291.398 3.960 50 0 CHAALO CC[N@H+]1C=CC(=Nc2ccc(N(C)C)cc2)c2ccccc21 ZINC000254295198 566923467 /nfs/dbraw/zinc/92/34/67/566923467.db2.gz RCSVDCBTVSJBPQ-UHFFFAOYSA-N 1 2 291.398 3.960 50 0 CHAALO CC(C)c1noc(C[NH2+][C@@H](c2cccs2)C(C)C)n1 ZINC000065554078 567009724 /nfs/dbraw/zinc/00/97/24/567009724.db2.gz CZAMUTVDHNVAAV-CYBMUJFWSA-N 1 2 279.409 3.741 50 0 CHAALO CSc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000065529952 567009885 /nfs/dbraw/zinc/00/98/85/567009885.db2.gz KBJDNSROGWWJBC-CYBMUJFWSA-N 1 2 272.417 3.787 50 0 CHAALO CSc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000065529952 567009889 /nfs/dbraw/zinc/00/98/89/567009889.db2.gz KBJDNSROGWWJBC-CYBMUJFWSA-N 1 2 272.417 3.787 50 0 CHAALO Cc1csc(C[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000088600373 567035816 /nfs/dbraw/zinc/03/58/16/567035816.db2.gz CVBCSFZUPWIQSF-UHFFFAOYSA-N 1 2 276.430 3.802 50 0 CHAALO Cc1csc(C[N@@H+]2CC=C(c3cccs3)CC2)n1 ZINC000088600373 567035820 /nfs/dbraw/zinc/03/58/20/567035820.db2.gz CVBCSFZUPWIQSF-UHFFFAOYSA-N 1 2 276.430 3.802 50 0 CHAALO CN(C)c1ccc2[nH]c(-c3cc(N)ccc3Cl)[nH+]c2c1 ZINC000096029305 567090453 /nfs/dbraw/zinc/09/04/53/567090453.db2.gz IHDTUEUIHXVSTF-UHFFFAOYSA-N 1 2 286.766 3.532 50 0 CHAALO Cc1noc(C)c1[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000095409652 567127885 /nfs/dbraw/zinc/12/78/85/567127885.db2.gz WCZIPNVKQJDOBV-NSHDSACASA-N 1 2 297.358 3.797 50 0 CHAALO CCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)on1 ZINC000095423063 567131058 /nfs/dbraw/zinc/13/10/58/567131058.db2.gz YCJXPQUSUNZGKJ-SNVBAGLBSA-N 1 2 294.782 3.750 50 0 CHAALO CC(C)c1cnc(-c2ccc(NCc3[nH+]ccn3C)cc2)o1 ZINC000095429218 567131409 /nfs/dbraw/zinc/13/14/09/567131409.db2.gz MOTQCEJXJVXNRX-UHFFFAOYSA-N 1 2 296.374 3.811 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037898562 567137011 /nfs/dbraw/zinc/13/70/11/567137011.db2.gz XBBKJZBBNCYZPY-SECBINFHSA-N 1 2 283.297 3.588 50 0 CHAALO Cc1c[nH+]cc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000097038332 567144071 /nfs/dbraw/zinc/14/40/71/567144071.db2.gz JDJBXAZATQUNMU-ZDUSSCGKSA-N 1 2 297.358 3.520 50 0 CHAALO CC(C)c1noc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000042356309 567204385 /nfs/dbraw/zinc/20/43/85/567204385.db2.gz PSMVXANUAOIITF-NSHDSACASA-N 1 2 277.393 3.592 50 0 CHAALO CC(C)c1noc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000042356309 567204390 /nfs/dbraw/zinc/20/43/90/567204390.db2.gz PSMVXANUAOIITF-NSHDSACASA-N 1 2 277.393 3.592 50 0 CHAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@@H](C)O2 ZINC000000247886 567822814 /nfs/dbraw/zinc/82/28/14/567822814.db2.gz HFSXFXXXGXEDJT-SSDOTTSWSA-N 1 2 278.149 3.629 50 0 biogenic CHAALO CNc1nc(SCc2ccc(C)cc2)[nH+]c2c1CCCC2 ZINC000001393091 567837357 /nfs/dbraw/zinc/83/73/57/567837357.db2.gz WNTZHOLQHBEBCZ-UHFFFAOYSA-N 1 2 299.443 3.998 50 0 CHAALO C[C@H]1C[NH+]=C(Nc2ccc(Cl)c(Cl)c2)S1 ZINC000003227046 567852078 /nfs/dbraw/zinc/85/20/78/567852078.db2.gz YKMKYRMIBXLAKY-LURJTMIESA-N 1 2 261.177 3.897 50 0 CHAALO CC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000013114037 567864865 /nfs/dbraw/zinc/86/48/65/567864865.db2.gz XEXQEMFMAYLGIT-UHFFFAOYSA-N 1 2 257.337 3.569 50 0 CHAALO CC[C@H](C)c1ccccc1OCCCn1cc[nH+]c1 ZINC000016193397 567872271 /nfs/dbraw/zinc/87/22/71/567872271.db2.gz QRJSKSCVCZQPAQ-AWEZNQCLSA-N 1 2 258.365 3.866 50 0 CHAALO Fc1cccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000019537808 567877959 /nfs/dbraw/zinc/87/79/59/567877959.db2.gz REKPSISSGGDYBJ-UHFFFAOYSA-N 1 2 280.346 3.865 50 0 CHAALO Fc1cccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000019537808 567877961 /nfs/dbraw/zinc/87/79/61/567877961.db2.gz REKPSISSGGDYBJ-UHFFFAOYSA-N 1 2 280.346 3.865 50 0 CHAALO Cc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)o1 ZINC000000757512 567887974 /nfs/dbraw/zinc/88/79/74/567887974.db2.gz FQQPDHRKPICQFN-UHFFFAOYSA-N 1 2 266.344 3.628 50 0 CHAALO Cc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)o1 ZINC000000757512 567887975 /nfs/dbraw/zinc/88/79/75/567887975.db2.gz FQQPDHRKPICQFN-UHFFFAOYSA-N 1 2 266.344 3.628 50 0 CHAALO CCc1ccc2nc(NCCCn3cc[nH+]c3)sc2c1 ZINC000034936053 567888943 /nfs/dbraw/zinc/88/89/43/567888943.db2.gz XPLUJQFXHWKAFR-UHFFFAOYSA-N 1 2 286.404 3.557 50 0 CHAALO Cc1cc2nc(NCCCn3cc[nH+]c3)sc2c(C)c1 ZINC000034936049 567888954 /nfs/dbraw/zinc/88/89/54/567888954.db2.gz FYYAQYXQDBVDHS-UHFFFAOYSA-N 1 2 286.404 3.612 50 0 CHAALO Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C)[nH+]1 ZINC000119225355 567891162 /nfs/dbraw/zinc/89/11/62/567891162.db2.gz AXRIGSGSQBUGEA-UHFFFAOYSA-N 1 2 293.326 3.606 50 0 CHAALO COc1cccc(F)c1-c1cccc2c(N)cc[nH+]c21 ZINC000065382918 567898593 /nfs/dbraw/zinc/89/85/93/567898593.db2.gz SHXQLIRMANLGSX-UHFFFAOYSA-N 1 2 268.291 3.632 50 0 CHAALO Cc1cn(Cc2nc(-c3sccc3C)oc2C)c[nH+]1 ZINC000067741096 567899996 /nfs/dbraw/zinc/89/99/96/567899996.db2.gz YCXHSFGHWMCYJI-UHFFFAOYSA-N 1 2 273.361 3.573 50 0 CHAALO C[C@H](Cc1ccc2c(c1)OCO2)c1[nH]c2ccc(F)cc2[nH+]1 ZINC000067695914 567900022 /nfs/dbraw/zinc/90/00/22/567900022.db2.gz HBKUIUNKWHYKCS-SNVBAGLBSA-N 1 2 298.317 3.777 50 0 CHAALO CC[C@H](C)Oc1c(Cl)cc(-c2[nH]cc[nH+]2)cc1OC ZINC000067641284 567900069 /nfs/dbraw/zinc/90/00/69/567900069.db2.gz JXUFPJQGSOKBBL-VIFPVBQESA-N 1 2 280.755 3.916 50 0 CHAALO COc1ccc(-c2nc(Cn3cc[nH+]c3)c(C)o2)c(C)c1C ZINC000067878363 567900760 /nfs/dbraw/zinc/90/07/60/567900760.db2.gz FVQDDVGXZLNUMP-UHFFFAOYSA-N 1 2 297.358 3.520 50 0 CHAALO C[NH+](C)Cc1noc(-c2ccccc2Oc2ccccc2)n1 ZINC000067880244 567900832 /nfs/dbraw/zinc/90/08/32/567900832.db2.gz XHEAEWCNEDPVPG-UHFFFAOYSA-N 1 2 295.342 3.591 50 0 CHAALO Cc1ccc(C)c(Nc2nc(C)[nH+]c3c2CCC3)c1 ZINC000011907772 567928933 /nfs/dbraw/zinc/92/89/33/567928933.db2.gz KCXXEYOXEXLKCP-UHFFFAOYSA-N 1 2 253.349 3.634 50 0 CHAALO Cc1ccn2cc(CSc3nc4ccccc4[nH]3)[nH+]c2c1 ZINC000000564737 567943287 /nfs/dbraw/zinc/94/32/87/567943287.db2.gz NFODUIZNTGDXCW-UHFFFAOYSA-N 1 2 294.383 3.811 50 0 CHAALO C[C@H](NC(=O)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048175 570282686 /nfs/dbraw/zinc/28/26/86/570282686.db2.gz DKNRTXYXSGPMFG-AWEZNQCLSA-N 1 2 297.402 3.630 50 0 CHAALO c1c(CSc2nncc3ccccc32)[nH+]c2ccccn12 ZINC000012600383 570329137 /nfs/dbraw/zinc/32/91/37/570329137.db2.gz VXWBHULTISEDLA-UHFFFAOYSA-N 1 2 292.367 3.570 50 0 CHAALO Fc1ccc2nc([C@H]3CCCN(c4cccc[nH+]4)C3)oc2c1 ZINC000253417920 570385389 /nfs/dbraw/zinc/38/53/89/570385389.db2.gz MGDVVVFCOQOERJ-LBPRGKRZSA-N 1 2 297.333 3.746 50 0 CHAALO C[N@H+](Cc1ccco1)Cc1cc(-c2ccccc2)no1 ZINC000054114613 1125652724 /nfs/dbraw/zinc/65/27/24/1125652724.db2.gz NYLZXHDAEAXDIM-UHFFFAOYSA-N 1 2 268.316 3.567 50 0 CHAALO C[N@@H+](Cc1ccco1)Cc1cc(-c2ccccc2)no1 ZINC000054114613 1125652728 /nfs/dbraw/zinc/65/27/28/1125652728.db2.gz NYLZXHDAEAXDIM-UHFFFAOYSA-N 1 2 268.316 3.567 50 0 CHAALO Cc1ccc(OCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000002900510 1119155701 /nfs/dbraw/zinc/15/57/01/1119155701.db2.gz LGPXBXWHPQZMIE-UHFFFAOYSA-N 1 2 264.756 3.704 50 0 CHAALO Cc1ccc(C[N@@H+](C)Cc2cnc(-c3ccccc3)nc2)o1 ZINC000613383297 1119913671 /nfs/dbraw/zinc/91/36/71/1119913671.db2.gz MTBBJENGMNLNSX-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO Cc1ccc(C[N@H+](C)Cc2cnc(-c3ccccc3)nc2)o1 ZINC000613383297 1119913674 /nfs/dbraw/zinc/91/36/74/1119913674.db2.gz MTBBJENGMNLNSX-UHFFFAOYSA-N 1 2 293.370 3.677 50 0 CHAALO CCn1ccnc1C[N@@H+](Cc1ccsc1)CC(C)C ZINC000252479774 1121653254 /nfs/dbraw/zinc/65/32/54/1121653254.db2.gz BMSMVNBIHQBJJW-UHFFFAOYSA-N 1 2 277.437 3.623 50 0 CHAALO CCn1ccnc1C[N@H+](Cc1ccsc1)CC(C)C ZINC000252479774 1121653257 /nfs/dbraw/zinc/65/32/57/1121653257.db2.gz BMSMVNBIHQBJJW-UHFFFAOYSA-N 1 2 277.437 3.623 50 0 CHAALO COc1c(C)c[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000029478105 1124023041 /nfs/dbraw/zinc/02/30/41/1124023041.db2.gz VTVRIUZRAIVZSC-UHFFFAOYSA-N 1 2 299.399 3.876 50 0 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276.605 3.944 50 0 CHAALO CCCC(=O)Nc1c(C)c(CC)[nH+]c2ccccc21 ZINC000000285623 169597229 /nfs/dbraw/zinc/59/72/29/169597229.db2.gz WHIAHLRDVNSAKJ-UHFFFAOYSA-N 1 2 256.349 3.844 50 0 CHAALO Cc1cc(Cl)cc(C)c1OCCCn1cc[nH+]c1 ZINC000002903256 169843361 /nfs/dbraw/zinc/84/33/61/169843361.db2.gz OPEONFVBUCNFIE-UHFFFAOYSA-N 1 2 264.756 3.622 50 0 CHAALO Cc1[nH+]c2ccccc2n1Cc1cc(N)ccc1Cl ZINC000037403132 173179738 /nfs/dbraw/zinc/17/97/38/173179738.db2.gz KXRLDAQDFLIDQT-UHFFFAOYSA-N 1 2 271.751 3.629 50 0 CHAALO CC(C)c1[nH]c2ccc(NC(=O)c3ccco3)cc2[nH+]1 ZINC000040266419 174217871 /nfs/dbraw/zinc/21/78/71/174217871.db2.gz OJNHFXCYYWOPJY-UHFFFAOYSA-N 1 2 269.304 3.532 50 0 CHAALO CC(C)c1noc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000040489643 174291041 /nfs/dbraw/zinc/29/10/41/174291041.db2.gz HLONPDKWWHCJSF-NSHDSACASA-N 1 2 277.343 3.525 50 0 CHAALO CC(C)c1noc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000040489643 174291043 /nfs/dbraw/zinc/29/10/43/174291043.db2.gz HLONPDKWWHCJSF-NSHDSACASA-N 1 2 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/nfs/dbraw/zinc/87/81/18/567878118.db2.gz BSVQHPPHGZDKSF-UHFFFAOYSA-N 1 2 292.386 3.917 50 0 CHAALO COCCOc1ccc([NH2+]CCc2ccccc2C)cc1 ZINC000019738279 567878665 /nfs/dbraw/zinc/87/86/65/567878665.db2.gz INTOYRSGMPPMRV-UHFFFAOYSA-N 1 2 285.387 3.675 50 0 CHAALO Cc1ccc(C)c2sc(NCCCn3cc[nH+]c3)nc21 ZINC000034936047 567888951 /nfs/dbraw/zinc/88/89/51/567888951.db2.gz VKIKLHWTEFRJBN-UHFFFAOYSA-N 1 2 286.404 3.612 50 0 CHAALO Cc1cccc(N(C)Cc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000072312062 567889252 /nfs/dbraw/zinc/88/92/52/567889252.db2.gz RQWQGGRWGRVZLS-UHFFFAOYSA-N 1 2 292.386 3.521 50 0 CHAALO C[C@@H](c1cnn(C)c1)n1c[nH+]c(-c2ccccc2)c1C1CC1 ZINC000065406295 567899080 /nfs/dbraw/zinc/89/90/80/567899080.db2.gz YPCSFGKTMCGLKF-ZDUSSCGKSA-N 1 2 292.386 3.770 50 0 CHAALO CCc1c(C)[nH+]c2ccccc2c1NC(=O)c1ncoc1C ZINC000097103501 567904657 /nfs/dbraw/zinc/90/46/57/567904657.db2.gz LMJDCYYTQUWREU-UHFFFAOYSA-N 1 2 295.342 3.654 50 0 CHAALO C[C@@H]1CC[N@H+](Cc2cscn2)[C@H](c2ccco2)C1 ZINC000076090243 567904727 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ZINC000097370692 570218717 /nfs/dbraw/zinc/21/87/17/570218717.db2.gz IKJQPTZKQQONJG-LBPRGKRZSA-N 1 2 297.333 3.727 50 0 CHAALO CC(C)CC[C@@H](c1ccccc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000055283922 570241755 /nfs/dbraw/zinc/24/17/55/570241755.db2.gz WAJVMMQWOOFDLG-KRWDZBQOSA-N 1 2 299.418 3.588 50 0 CHAALO C[C@@H](NC(=O)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048174 570282748 /nfs/dbraw/zinc/28/27/48/570282748.db2.gz DKNRTXYXSGPMFG-CQSZACIVSA-N 1 2 297.402 3.630 50 0 CHAALO COc1cccc([C@H]2CC[N@H+]2Cc2ccnc(C(C)C)n2)c1 ZINC000215436878 570302784 /nfs/dbraw/zinc/30/27/84/570302784.db2.gz YMIDCMWSIDDWOF-QGZVFWFLSA-N 1 2 297.402 3.556 50 0 CHAALO C[N@H+](CCSc1ccccc1)Cc1cc(C2CC2)on1 ZINC000244735106 570321080 /nfs/dbraw/zinc/32/10/80/570321080.db2.gz NTBRHVPHKVWRMR-UHFFFAOYSA-N 1 2 288.416 3.776 50 0 CHAALO C[N@@H+](CCSc1ccccc1)Cc1cc(C2CC2)on1 ZINC000244735106 570321081 /nfs/dbraw/zinc/32/10/81/570321081.db2.gz NTBRHVPHKVWRMR-UHFFFAOYSA-N 1 2 288.416 3.776 50 0 CHAALO Cc1noc(C)c1C[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000091812861 570354993 /nfs/dbraw/zinc/35/49/93/570354993.db2.gz DYCXOXHSPJYSMQ-UHFFFAOYSA-N 1 2 291.420 3.647 50 0 CHAALO Cc1noc(C)c1C[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000091812861 570354995 /nfs/dbraw/zinc/35/49/95/570354995.db2.gz DYCXOXHSPJYSMQ-UHFFFAOYSA-N 1 2 291.420 3.647 50 0 CHAALO Cc1[nH]ncc1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037128920 570362913 /nfs/dbraw/zinc/36/29/13/570362913.db2.gz LCGQRBWRJVEKIL-HNNXBMFYSA-N 1 2 275.421 3.801 50 0 CHAALO c1ccc(COc2ccc(CNc3cccc[nH+]3)cc2)nc1 ZINC000069831515 570402890 /nfs/dbraw/zinc/40/28/90/570402890.db2.gz JMXQDOCNJPRIKG-UHFFFAOYSA-N 1 2 291.354 3.668 50 0 CHAALO C[NH+]1[C@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000054957092 1125655064 /nfs/dbraw/zinc/65/50/64/1125655064.db2.gz UICNNPDZLGFJRO-ROUUACIJSA-N 1 2 265.356 3.764 50 0 CHAALO C[NH+]1[C@@H](c2ccccc2)CC(=O)C[C@@H]1c1ccccc1 ZINC000054957090 1125655559 /nfs/dbraw/zinc/65/55/59/1125655559.db2.gz UICNNPDZLGFJRO-QZTJIDSGSA-N 1 2 265.356 3.764 50 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3.769 50 0 CHAALO CCn1ccnc1C[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000216020935 1125426717 /nfs/dbraw/zinc/42/67/17/1125426717.db2.gz YWPCLQGFNOYDSF-MRXNPFEDSA-N 1 2 287.382 3.769 50 0 CHAALO CC1=Nc2ccccc2C1=[NH+]Nc1ccc(F)cc1 ZINC000254508929 1129699224 /nfs/dbraw/zinc/69/92/24/1129699224.db2.gz CBAPXQSLOBDIBX-UHFFFAOYSA-N 1 2 253.280 3.748 50 0 CHAALO Cc1ccc(-c2nn(C[NH+]3CCCCC3)c(=S)o2)cc1 ZINC000004833992 170026659 /nfs/dbraw/zinc/02/66/59/170026659.db2.gz NICAUEQKTJJPON-UHFFFAOYSA-N 1 2 289.404 3.624 50 0 CHAALO CCc1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000005509823 170105814 /nfs/dbraw/zinc/10/58/14/170105814.db2.gz TUDGSXMJEZFRFB-UHFFFAOYSA-N 1 2 293.370 3.546 50 0 CHAALO CCOc1ccc([NH2+]CC[C@@H](O)c2ccc(F)cc2)cc1 ZINC000005949227 170160994 /nfs/dbraw/zinc/16/09/94/170160994.db2.gz QLDICCDOPKTAMN-QGZVFWFLSA-N 1 2 289.350 3.760 50 0 CHAALO CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000020518126 171233245 /nfs/dbraw/zinc/23/32/45/171233245.db2.gz WYJAPUKIYAZSEM-OALUTQOASA-N 1 2 294.398 3.775 50 0 CHAALO CC[C@@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000020518126 171233247 /nfs/dbraw/zinc/23/32/47/171233247.db2.gz WYJAPUKIYAZSEM-OALUTQOASA-N 1 2 294.398 3.775 50 0 CHAALO Cc1csc(C[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000038090742 174103770 /nfs/dbraw/zinc/10/37/70/174103770.db2.gz XFJDXCAHPUSFJP-JTQLQIEISA-N 1 2 266.797 3.956 50 0 CHAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C)on1 ZINC000040012124 174182528 /nfs/dbraw/zinc/18/25/28/174182528.db2.gz KEFKSLIQUMOCGK-CYBMUJFWSA-N 1 2 262.378 3.554 50 0 CHAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C)on1 ZINC000040012124 174182531 /nfs/dbraw/zinc/18/25/31/174182531.db2.gz KEFKSLIQUMOCGK-CYBMUJFWSA-N 1 2 262.378 3.554 50 0 CHAALO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000040460656 174270300 /nfs/dbraw/zinc/27/03/00/174270300.db2.gz YRCQOMIWJPNDEV-LBPRGKRZSA-N 1 2 297.333 3.727 50 0 CHAALO CC(C)c1noc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000044937872 175281895 /nfs/dbraw/zinc/28/18/95/175281895.db2.gz NJEKLSGSLCJBLV-GFCCVEGCSA-N 1 2 277.393 3.592 50 0 CHAALO CC(C)c1noc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000044937872 175281897 /nfs/dbraw/zinc/28/18/97/175281897.db2.gz NJEKLSGSLCJBLV-GFCCVEGCSA-N 1 2 277.393 3.592 50 0 CHAALO CC[C@](C)([NH2+]Cc1cnc(Cl)s1)c1nccs1 ZINC000175452273 261608725 /nfs/dbraw/zinc/60/87/25/261608725.db2.gz NGBPTIIMIYFKHF-NSHDSACASA-N 1 2 287.841 3.668 50 0 CHAALO CC(C)c1nnc(C[NH+]2CCC(=Cc3ccccc3)CC2)o1 ZINC000096455406 528424174 /nfs/dbraw/zinc/42/41/74/528424174.db2.gz JVKRVJBKFLPOIU-UHFFFAOYSA-N 1 2 297.402 3.872 50 0 CHAALO CC(C)c1nnsc1C[N@@H+]1CC[C@H]1c1cccs1 ZINC000240499977 566824878 /nfs/dbraw/zinc/82/48/78/566824878.db2.gz NPYKXPPFLNJVJE-JTQLQIEISA-N 1 2 279.434 3.670 50 0 CHAALO CC(C)c1nnsc1C[N@H+]1CC[C@H]1c1cccs1 ZINC000240499977 566824883 /nfs/dbraw/zinc/82/48/83/566824883.db2.gz NPYKXPPFLNJVJE-JTQLQIEISA-N 1 2 279.434 3.670 50 0 CHAALO CC[C@@H](c1ccccn1)[NH+](C)Cc1cc(C(C)C)on1 ZINC000252509484 566832122 /nfs/dbraw/zinc/83/21/22/566832122.db2.gz YOPNVNYZWBDXAT-HNNXBMFYSA-N 1 2 273.380 3.776 50 0 CHAALO Clc1ccccc1-c1csc(Cn2cc[nH+]c2)n1 ZINC000186664705 566933878 /nfs/dbraw/zinc/93/38/78/566933878.db2.gz KMZCGDLAUFDXQZ-UHFFFAOYSA-N 1 2 275.764 3.708 50 0 CHAALO CC[C@H]([NH2+]Cc1cc2ccccc2s1)c1noc(C)n1 ZINC000095412277 567128456 /nfs/dbraw/zinc/12/84/56/567128456.db2.gz YWQPVRJDXXSAOQ-ZDUSSCGKSA-N 1 2 287.388 3.834 50 0 CHAALO Cc1ccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)cc1C ZINC000031943918 567185711 /nfs/dbraw/zinc/18/57/11/567185711.db2.gz SIJLAKSUTDZFHS-UHFFFAOYSA-N 1 2 280.327 3.618 50 0 CHAALO COc1ccc(-c2[nH]c3cc(C)c(C)cc3[nH+]2)cc1 ZINC000000097684 567818360 /nfs/dbraw/zinc/81/83/60/567818360.db2.gz AXAMGAXDIOAMEI-UHFFFAOYSA-N 1 2 252.317 3.855 50 0 CHAALO c1ccc2sc(CCc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000000407379 567829593 /nfs/dbraw/zinc/82/95/93/567829593.db2.gz YAWFPGQKVNEJNI-UHFFFAOYSA-N 1 2 279.368 3.958 50 0 CHAALO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000097373761 567860102 /nfs/dbraw/zinc/86/01/02/567860102.db2.gz XDIIGGNPEOBWLU-MRXNPFEDSA-N 1 2 297.402 3.750 50 0 CHAALO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)Cc2ccccc2O1 ZINC000012040396 567862136 /nfs/dbraw/zinc/86/21/36/567862136.db2.gz LGYQJHRTEAXZQZ-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)Cc2ccccc2O1 ZINC000012040396 567862138 /nfs/dbraw/zinc/86/21/38/567862138.db2.gz LGYQJHRTEAXZQZ-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO Cc1nc2scc(-c3ccccc3)c2c(-n2cc[nH+]c2)n1 ZINC000012629032 567864111 /nfs/dbraw/zinc/86/41/11/567864111.db2.gz WOYUQUFPWOIPLC-UHFFFAOYSA-N 1 2 292.367 3.852 50 0 CHAALO CCCCN1C(=O)c2ccccc2[C@H]1[NH2+]Cc1ccccc1 ZINC000019907489 567879644 /nfs/dbraw/zinc/87/96/44/567879644.db2.gz LENFWPSQJGLMSQ-SFHVURJKSA-N 1 2 294.398 3.731 50 0 CHAALO COc1ccc(OCCCCCCn2cc[nH+]c2)cc1 ZINC000023115344 567888353 /nfs/dbraw/zinc/88/83/53/567888353.db2.gz KECZJRPGRIATBX-UHFFFAOYSA-N 1 2 274.364 3.531 50 0 CHAALO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2F)on1 ZINC000064667003 567897913 /nfs/dbraw/zinc/89/79/13/567897913.db2.gz YSXJFZUNNGMHAA-HNNXBMFYSA-N 1 2 292.329 3.852 50 0 CHAALO CCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2F)on1 ZINC000064667003 567897914 /nfs/dbraw/zinc/89/79/14/567897914.db2.gz YSXJFZUNNGMHAA-HNNXBMFYSA-N 1 2 292.329 3.852 50 0 CHAALO C[C@@H](O)c1ccc(-n2cc[nH+]c2-c2ccccc2)cc1 ZINC000065371922 567898650 /nfs/dbraw/zinc/89/86/50/567898650.db2.gz PEYPWHDYFPSITE-CYBMUJFWSA-N 1 2 264.328 3.593 50 0 CHAALO CSc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000065370607 567898716 /nfs/dbraw/zinc/89/87/16/567898716.db2.gz PDYRWEFRYAFNPQ-UHFFFAOYSA-N 1 2 281.384 3.715 50 0 CHAALO c1cn(CCn2cc[nH+]c2)c(-c2cccc3ccccc32)n1 ZINC000067654604 567899947 /nfs/dbraw/zinc/89/99/47/567899947.db2.gz RLQUFYWUJPBPBS-UHFFFAOYSA-N 1 2 288.354 3.600 50 0 CHAALO C[C@H](c1[nH+]ccn1-c1cccc(CO)c1)c1ccccc1 ZINC000067641293 567900307 /nfs/dbraw/zinc/90/03/07/567900307.db2.gz NJGFZXPQILOUAK-AWEZNQCLSA-N 1 2 278.355 3.516 50 0 CHAALO NC(=O)c1ccc(-c2[nH+]ccn2CCC2=CCCCC2)cc1 ZINC000067754655 567900611 /nfs/dbraw/zinc/90/06/11/567900611.db2.gz HYLJDZLMLBTILV-UHFFFAOYSA-N 1 2 295.386 3.540 50 0 CHAALO CSc1nc(NCc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000012016428 567929075 /nfs/dbraw/zinc/92/90/75/567929075.db2.gz XQFGDXQKKWPKPE-UHFFFAOYSA-N 1 2 279.796 3.772 50 0 CHAALO Cc1cc2[nH+]cn(CCOc3ccccc3)c2cc1C ZINC000000572575 567936636 /nfs/dbraw/zinc/93/66/36/567936636.db2.gz YGWKWAAOMKWUQY-UHFFFAOYSA-N 1 2 266.344 3.732 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000120508334 567942753 /nfs/dbraw/zinc/94/27/53/567942753.db2.gz QTGRWTKZRXHEST-IUODEOHRSA-N 1 2 299.374 3.988 50 0 CHAALO Brc1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000019537662 567944748 /nfs/dbraw/zinc/94/47/48/567944748.db2.gz MHEBBNFSBVQQAE-UHFFFAOYSA-N 1 2 292.176 3.600 50 0 CHAALO Brc1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000019537662 567944749 /nfs/dbraw/zinc/94/47/49/567944749.db2.gz MHEBBNFSBVQQAE-UHFFFAOYSA-N 1 2 292.176 3.600 50 0 CHAALO CSc1ccccc1C[N@H+](C)[C@H](C)c1ccon1 ZINC000215877936 567947326 /nfs/dbraw/zinc/94/73/26/567947326.db2.gz IFLRVSFCMDVDEE-LLVKDONJSA-N 1 2 262.378 3.590 50 0 CHAALO CSc1ccccc1C[N@@H+](C)[C@H](C)c1ccon1 ZINC000215877936 567947327 /nfs/dbraw/zinc/94/73/27/567947327.db2.gz IFLRVSFCMDVDEE-LLVKDONJSA-N 1 2 262.378 3.590 50 0 CHAALO Clc1snnc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000048287170 570296940 /nfs/dbraw/zinc/29/69/40/570296940.db2.gz SGOSUSVYQJRQKT-GFCCVEGCSA-N 1 2 285.844 3.736 50 0 CHAALO Clc1snnc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000048287170 570296943 /nfs/dbraw/zinc/29/69/43/570296943.db2.gz SGOSUSVYQJRQKT-GFCCVEGCSA-N 1 2 285.844 3.736 50 0 CHAALO C[C@@H](c1ccon1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215766075 570303832 /nfs/dbraw/zinc/30/38/32/570303832.db2.gz PALXGRPHTDTEDN-LBPRGKRZSA-N 1 2 286.375 3.581 50 0 CHAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215766075 570303834 /nfs/dbraw/zinc/30/38/34/570303834.db2.gz PALXGRPHTDTEDN-LBPRGKRZSA-N 1 2 286.375 3.581 50 0 CHAALO C[C@H](Nc1cccc(-c2[nH+]ccn2C)c1)C1CCC1 ZINC000170616070 570363091 /nfs/dbraw/zinc/36/30/91/570363091.db2.gz YRIUKLGQEGBNOR-LBPRGKRZSA-N 1 2 255.365 3.688 50 0 CHAALO Cc1noc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069738823 570402259 /nfs/dbraw/zinc/40/22/59/570402259.db2.gz KFGKWCLWFAHQQA-MEBBXXQBSA-N 1 2 289.354 3.709 50 0 CHAALO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)Cc2ccccc2O1 ZINC000012190773 1120488996 /nfs/dbraw/zinc/48/89/96/1120488996.db2.gz PXPGCXJEVVXRSF-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)Cc2ccccc2O1 ZINC000012190773 1120488999 /nfs/dbraw/zinc/48/89/99/1120488999.db2.gz PXPGCXJEVVXRSF-GFCCVEGCSA-N 1 2 289.325 3.748 50 0 CHAALO CCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048342488 1120811611 /nfs/dbraw/zinc/81/16/11/1120811611.db2.gz QKZRTFVXLGFZJK-UHFFFAOYSA-N 1 2 275.327 3.530 50 0 CHAALO CCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729564 1129406264 /nfs/dbraw/zinc/40/62/64/1129406264.db2.gz RTVJWYVVYJTZSQ-KRWDZBQOSA-N 1 2 299.418 3.926 50 0 CHAALO CCCOc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729564 1129406266 /nfs/dbraw/zinc/40/62/66/1129406266.db2.gz RTVJWYVVYJTZSQ-KRWDZBQOSA-N 1 2 299.418 3.926 50 0 CHAALO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000095977301 185051477 /nfs/dbraw/zinc/05/14/77/185051477.db2.gz JTKHBJQDGQQRHQ-LBPRGKRZSA-N 1 2 299.399 3.991 50 0 CHAALO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000095977301 185051479 /nfs/dbraw/zinc/05/14/79/185051479.db2.gz JTKHBJQDGQQRHQ-LBPRGKRZSA-N 1 2 299.399 3.991 50 0 CHAALO CC(C)Cc1nnc([C@@H](C)[N@H+](C)Cc2ccsc2)o1 ZINC000095978594 185052394 /nfs/dbraw/zinc/05/23/94/185052394.db2.gz HQULVZQDDYHTES-LLVKDONJSA-N 1 2 279.409 3.523 50 0 CHAALO CC(C)Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccsc2)o1 ZINC000095978594 185052396 /nfs/dbraw/zinc/05/23/96/185052396.db2.gz HQULVZQDDYHTES-LLVKDONJSA-N 1 2 279.409 3.523 50 0 CHAALO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccc(Cl)cc1 ZINC000095984391 185055166 /nfs/dbraw/zinc/05/51/66/185055166.db2.gz WJZNOUVNHVWRKE-TVQRCGJNSA-N 1 2 279.771 3.833 50 0 CHAALO c1cn(CCOc2ccccc2-c2ccccc2)c[nH+]1 ZINC000000235527 169582372 /nfs/dbraw/zinc/58/23/72/169582372.db2.gz LZRXOIQLVZVDRV-UHFFFAOYSA-N 1 2 264.328 3.629 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000005627890 170121633 /nfs/dbraw/zinc/12/16/33/170121633.db2.gz WRNQEVUZVUGVQF-UHFFFAOYSA-N 1 2 293.370 3.600 50 0 CHAALO Cc1cc(OCCCn2cc[nH+]c2)ccc1C(C)C ZINC000006404280 170199097 /nfs/dbraw/zinc/19/90/97/170199097.db2.gz HGJYAXWWSHVKJH-UHFFFAOYSA-N 1 2 258.365 3.784 50 0 CHAALO OCCc1[nH+]c2ccccc2n1CCC1CCCCC1 ZINC000008786088 170355952 /nfs/dbraw/zinc/35/59/52/170355952.db2.gz GHNDEQIASWTSJE-UHFFFAOYSA-N 1 2 272.392 3.542 50 0 CHAALO c1cn(-c2ncnc3sc(-c4ccccc4)cc32)c[nH+]1 ZINC000009156577 170365056 /nfs/dbraw/zinc/36/50/56/170365056.db2.gz XHCXMBYWENEWBQ-UHFFFAOYSA-N 1 2 278.340 3.544 50 0 CHAALO COc1ccc(OCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000031943781 171665893 /nfs/dbraw/zinc/66/58/93/171665893.db2.gz GSFBKODOPYPQLZ-UHFFFAOYSA-N 1 2 282.343 3.583 50 0 CHAALO Cc1ccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)c(C)c1 ZINC000037400475 173178489 /nfs/dbraw/zinc/17/84/89/173178489.db2.gz KGTOHBYBWVBINS-UHFFFAOYSA-N 1 2 280.327 3.618 50 0 CHAALO FC(F)(F)c1cccc2c(N3CCCC3)cc[nH+]c21 ZINC000038536980 174144818 /nfs/dbraw/zinc/14/48/18/174144818.db2.gz QBELIDNIHJNJQQ-UHFFFAOYSA-N 1 2 266.266 3.854 50 0 CHAALO Cc1cc2[nH+]cn(C[C@H](O)c3ccccc3F)c2cc1C ZINC000028913498 262372377 /nfs/dbraw/zinc/37/23/77/262372377.db2.gz SQIBFAFTIQURDQ-KRWDZBQOSA-N 1 2 284.334 3.526 50 0 CHAALO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)o1 ZINC000097374258 329527039 /nfs/dbraw/zinc/52/70/39/329527039.db2.gz TUFKBOGZWLCTCH-LLVKDONJSA-N 1 2 297.358 3.852 50 0 CHAALO CCOc1cc(-c2[nH]cc[nH+]2)c(Cl)cc1OC(C)C ZINC000067788860 567900463 /nfs/dbraw/zinc/90/04/63/567900463.db2.gz KNRRIYJXSIQGDX-UHFFFAOYSA-N 1 2 280.755 3.916 50 0 CHAALO COc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]32)cc1 ZINC000263586109 566855448 /nfs/dbraw/zinc/85/54/48/566855448.db2.gz QGJFICFQBGWRIL-LJQANCHMSA-N 1 2 294.398 3.637 50 0 biogenic CHAALO COc1ccc(C[N@H+]2Cc3ccccc3N3CCC[C@@H]32)cc1 ZINC000263586109 566855453 /nfs/dbraw/zinc/85/54/53/566855453.db2.gz QGJFICFQBGWRIL-LJQANCHMSA-N 1 2 294.398 3.637 50 0 biogenic CHAALO CC(C)c1[nH]c2ccc(NC(=O)[C@@H](C)n3cccc3)cc2[nH+]1 ZINC000263587002 566857326 /nfs/dbraw/zinc/85/73/26/566857326.db2.gz AXZJVXUHWYUDLI-GFCCVEGCSA-N 1 2 296.374 3.688 50 0 CHAALO C[C@@H]1CC[N@H+](Cc2cscn2)[C@@H](c2ccco2)C1 ZINC000247687895 566895448 /nfs/dbraw/zinc/89/54/48/566895448.db2.gz VJKUZCRYJDKHIE-DGCLKSJQSA-N 1 2 262.378 3.709 50 0 CHAALO C[C@@H]1CC[N@@H+](Cc2cscn2)[C@@H](c2ccco2)C1 ZINC000247687895 566895458 /nfs/dbraw/zinc/89/54/58/566895458.db2.gz VJKUZCRYJDKHIE-DGCLKSJQSA-N 1 2 262.378 3.709 50 0 CHAALO CC(C)(CNc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000170601689 567014401 /nfs/dbraw/zinc/01/44/01/567014401.db2.gz FONICLQQBJSKGS-UHFFFAOYSA-N 1 2 292.386 3.657 50 0 CHAALO COc1cccc2c(N[C@H](C)c3nccs3)cc[nH+]c12 ZINC000193482770 567060712 /nfs/dbraw/zinc/06/07/12/567060712.db2.gz BHWFOVYYYKEDNP-SNVBAGLBSA-N 1 2 285.372 3.873 50 0 CHAALO CC(C)SCc1cccc(NCc2[nH+]ccn2C)c1 ZINC000095429269 567131676 /nfs/dbraw/zinc/13/16/76/567131676.db2.gz MIHUQRYSULDJEK-UHFFFAOYSA-N 1 2 275.421 3.674 50 0 CHAALO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000093725430 567122185 /nfs/dbraw/zinc/12/21/85/567122185.db2.gz KRIROHZWSALYAG-LTCOOKNTSA-N 1 2 279.383 3.914 50 0 CHAALO Cc1c[nH+]cc(N[C@H](C)CC(=O)Nc2ccccc2C)c1 ZINC000097038328 567143399 /nfs/dbraw/zinc/14/33/99/567143399.db2.gz HXKJAGBHCKPJBB-CQSZACIVSA-N 1 2 283.375 3.528 50 0 CHAALO CCc1ccc(C(=O)CC[NH2+]c2ccc(OC)cc2)cc1 ZINC000002531720 567148935 /nfs/dbraw/zinc/14/89/35/567148935.db2.gz KCQBIHGUYHHMGH-UHFFFAOYSA-N 1 2 283.371 3.943 50 0 CHAALO Cc1cccn2cc(CSc3nc4ccccc4[nH]3)[nH+]c12 ZINC000000180456 567821690 /nfs/dbraw/zinc/82/16/90/567821690.db2.gz DBXFURHOPQBJNP-UHFFFAOYSA-N 1 2 294.383 3.811 50 0 CHAALO CCCc1[nH+]cc([C@H](O)c2cccc3ccccc32)n1C ZINC000000237858 567822808 /nfs/dbraw/zinc/82/28/08/567822808.db2.gz RMDUQNUQMHVRKQ-GOSISDBHSA-N 1 2 280.371 3.608 50 0 CHAALO CC(C)c1[nH+]cc([C@H](O)c2cccc3ccccc32)n1C ZINC000000237908 567823052 /nfs/dbraw/zinc/82/30/52/567823052.db2.gz DZXMDRKTDSUFCX-QGZVFWFLSA-N 1 2 280.371 3.778 50 0 CHAALO c1ccc(C[N@@H+]2CCc3nc4ccccc4cc3C2)cc1 ZINC000004050323 567855148 /nfs/dbraw/zinc/85/51/48/567855148.db2.gz BIGIFNAKNRWTPE-UHFFFAOYSA-N 1 2 274.367 3.793 50 0 CHAALO c1ccc(C[N@H+]2CCc3nc4ccccc4cc3C2)cc1 ZINC000004050323 567855149 /nfs/dbraw/zinc/85/51/49/567855149.db2.gz BIGIFNAKNRWTPE-UHFFFAOYSA-N 1 2 274.367 3.793 50 0 CHAALO CCn1c2ccccc2[nH+]c1CCc1ccccc1 ZINC000004385567 567857251 /nfs/dbraw/zinc/85/72/51/567857251.db2.gz NERNBPJESYXSIS-UHFFFAOYSA-N 1 2 250.345 3.841 50 0 CHAALO CCCCCC[NH2+]c1ccc(OCCOC)cc1 ZINC000019738277 567878794 /nfs/dbraw/zinc/87/87/94/567878794.db2.gz JRFLIOSELKNDJV-UHFFFAOYSA-N 1 2 251.370 3.704 50 0 CHAALO c1ccc(OCCOc2ccc([NH2+]CC3CC3)cc2)cc1 ZINC000019738243 567878858 /nfs/dbraw/zinc/87/88/58/567878858.db2.gz DVJDKZAKXJLXAP-UHFFFAOYSA-N 1 2 283.371 3.966 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)CCCc3cccs3)cc2[nH+]1 ZINC000010895612 567882173 /nfs/dbraw/zinc/88/21/73/567882173.db2.gz KKKVVPGXWNSYEH-UHFFFAOYSA-N 1 2 299.399 3.894 50 0 CHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)c1ccc(F)cc1 ZINC000024988353 567882771 /nfs/dbraw/zinc/88/27/71/567882771.db2.gz VZFZXDFRRKJSGO-QGZVFWFLSA-N 1 2 298.361 3.862 50 0 CHAALO Cc1cccc(C(C)(C)C)c1OCCn1cc[nH+]c1 ZINC000000235668 567887541 /nfs/dbraw/zinc/88/75/41/567887541.db2.gz IDAUKGQKTOZHBF-UHFFFAOYSA-N 1 2 258.365 3.568 50 0 CHAALO COc1ccc2[nH+]c(N3CCC[C@@H](C)C3)cc(C)c2c1 ZINC000005005784 567888506 /nfs/dbraw/zinc/88/85/06/567888506.db2.gz CBMWEYNCHFAULB-GFCCVEGCSA-N 1 2 270.376 3.788 50 0 CHAALO CCc1cccc2sc(NCCCn3cc[nH+]c3)nc21 ZINC000034936045 567889021 /nfs/dbraw/zinc/88/90/21/567889021.db2.gz TYPHLSGMMOKZNT-UHFFFAOYSA-N 1 2 286.404 3.557 50 0 CHAALO Cc1nnc(C[NH+](Cc2ccccc2)Cc2ccccc2)o1 ZINC000058162864 567895423 /nfs/dbraw/zinc/89/54/23/567895423.db2.gz ZIBOCXLAMKSBHS-UHFFFAOYSA-N 1 2 293.370 3.580 50 0 CHAALO C[C@H](O)c1ccc(-n2cc[nH+]c2-c2ccccc2)cc1 ZINC000065371921 567898576 /nfs/dbraw/zinc/89/85/76/567898576.db2.gz PEYPWHDYFPSITE-ZDUSSCGKSA-N 1 2 264.328 3.593 50 0 CHAALO Cc1csc(Cn2cc[nH+]c2[C@H](C)c2ccccc2)n1 ZINC000071753552 567901882 /nfs/dbraw/zinc/90/18/82/567901882.db2.gz QOIBSEHTOGYIRZ-CYBMUJFWSA-N 1 2 283.400 3.848 50 0 CHAALO Cc1cc(C2CCC2)nc(N[C@H](C)Cc2cccc(C)[nH+]2)n1 ZINC000071775750 567902071 /nfs/dbraw/zinc/90/20/71/567902071.db2.gz MLDCOJMKDXTBLU-CYBMUJFWSA-N 1 2 296.418 3.799 50 0 CHAALO O=C1c2cccc3cccc(c23)N1Cc1[nH+]ccn1C1CC1 ZINC000095367325 567909297 /nfs/dbraw/zinc/90/92/97/567909297.db2.gz WLCHTOILZXLYSL-UHFFFAOYSA-N 1 2 289.338 3.532 50 0 CHAALO Cc1ccnc2c1c1c(n2-c2ccccc2)C(C)=[NH+]CC1 ZINC000005659864 567933166 /nfs/dbraw/zinc/93/31/66/567933166.db2.gz VSNZNXKDGWRPRZ-UHFFFAOYSA-N 1 2 275.355 3.699 50 0 CHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000004385769 567938197 /nfs/dbraw/zinc/93/81/97/567938197.db2.gz QZFMSJABJRGZAY-UHFFFAOYSA-N 1 2 299.761 3.637 50 0 CHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)on1 ZINC000052007446 570238585 /nfs/dbraw/zinc/23/85/85/570238585.db2.gz YDICJOGHABYNFL-CYBMUJFWSA-N 1 2 278.302 3.598 50 0 CHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000052007446 570238586 /nfs/dbraw/zinc/23/85/86/570238586.db2.gz YDICJOGHABYNFL-CYBMUJFWSA-N 1 2 278.302 3.598 50 0 CHAALO CC(=O)c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000065531182 570244654 /nfs/dbraw/zinc/24/46/54/570244654.db2.gz ONMNTHGWPABFPU-UHFFFAOYSA-N 1 2 276.339 3.801 50 0 CHAALO CCc1cc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)on1 ZINC000215238044 570302252 /nfs/dbraw/zinc/30/22/52/570302252.db2.gz YVNNFMYQVSHMEY-UHFFFAOYSA-N 1 2 282.746 3.662 50 0 CHAALO CCc1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)on1 ZINC000215238044 570302254 /nfs/dbraw/zinc/30/22/54/570302254.db2.gz YVNNFMYQVSHMEY-UHFFFAOYSA-N 1 2 282.746 3.662 50 0 CHAALO Cn1ccc2cc(C[N@H+](C)Cc3cc(C4CC4)on3)ccc21 ZINC000215820590 570304124 /nfs/dbraw/zinc/30/41/24/570304124.db2.gz WQAHQFROXSYYGJ-UHFFFAOYSA-N 1 2 295.386 3.676 50 0 CHAALO Cn1ccc2cc(C[N@@H+](C)Cc3cc(C4CC4)on3)ccc21 ZINC000215820590 570304126 /nfs/dbraw/zinc/30/41/26/570304126.db2.gz WQAHQFROXSYYGJ-UHFFFAOYSA-N 1 2 295.386 3.676 50 0 CHAALO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)o1 ZINC000090458548 570352479 /nfs/dbraw/zinc/35/24/79/570352479.db2.gz WCVOUYOPJKUDFN-SNVBAGLBSA-N 1 2 262.378 3.773 50 0 CHAALO CC(C)c1noc(C[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000065606540 570362637 /nfs/dbraw/zinc/36/26/37/570362637.db2.gz MJEKGRUNTSSWHS-JTQLQIEISA-N 1 2 279.771 3.697 50 0 CHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)c1ccccc1 ZINC000012525331 570395159 /nfs/dbraw/zinc/39/51/59/570395159.db2.gz KTGZWALDWWHUDM-QGZVFWFLSA-N 1 2 280.371 3.722 50 0 CHAALO CC[C@@](C)([NH2+]Cc1cnc(Cl)s1)c1nccs1 ZINC000175452292 1126742936 /nfs/dbraw/zinc/74/29/36/1126742936.db2.gz NGBPTIIMIYFKHF-LLVKDONJSA-N 1 2 287.841 3.668 50 0 CHAALO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ncc[nH]1 ZINC000138906144 1126793322 /nfs/dbraw/zinc/79/33/22/1126793322.db2.gz OHEZFJCKQZNLSX-VHSXEESVSA-N 1 2 294.196 3.584 50 0 CHAALO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ncc[nH]1 ZINC000138906256 1126793670 /nfs/dbraw/zinc/79/36/70/1126793670.db2.gz OHEZFJCKQZNLSX-NXEZZACHSA-N 1 2 294.196 3.584 50 0 CHAALO C[C@H](c1ccncc1)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000127481362 1127655297 /nfs/dbraw/zinc/65/52/97/1127655297.db2.gz SAOGNLCLNXWBDB-GFCCVEGCSA-N 1 2 299.399 3.991 50 0 CHAALO C[C@H](c1ccncc1)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000127481362 1127655299 /nfs/dbraw/zinc/65/52/99/1127655299.db2.gz SAOGNLCLNXWBDB-GFCCVEGCSA-N 1 2 299.399 3.991 50 0 CHAALO Clc1ccc(OCCCCCn2cc[nH+]c2)cc1 ZINC000023115438 1119262403 /nfs/dbraw/zinc/26/24/03/1119262403.db2.gz XOFONTIFDJBJDJ-UHFFFAOYSA-N 1 2 264.756 3.786 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)C3(C)CCCCC3)cc2[nH+]1 ZINC000019774495 1120189354 /nfs/dbraw/zinc/18/93/54/1120189354.db2.gz MJAXNUVFOUHMTJ-UHFFFAOYSA-N 1 2 271.364 3.780 50 0 CHAALO CCN(CC)c1nc(N2CCC[C@@H](C)C2)[nH+]c2ccccc21 ZINC000041147897 1121262039 /nfs/dbraw/zinc/26/20/39/1121262039.db2.gz QSZVWVZNWUZBEB-CQSZACIVSA-N 1 2 298.434 3.712 50 0 CHAALO CCOc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1 ZINC000015686651 1121267361 /nfs/dbraw/zinc/26/73/61/1121267361.db2.gz KQHMYWFTPPMTMS-UHFFFAOYSA-N 1 2 252.317 3.552 50 0 CHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)on1 ZINC000052821754 1123003477 /nfs/dbraw/zinc/00/34/77/1123003477.db2.gz IVTHJPPXDWIWTM-ZDUSSCGKSA-N 1 2 299.399 3.930 50 0 CHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)on1 ZINC000052821754 1123003481 /nfs/dbraw/zinc/00/34/81/1123003481.db2.gz IVTHJPPXDWIWTM-ZDUSSCGKSA-N 1 2 299.399 3.930 50 0 CHAALO Cc1[nH]c(CNc2ccccc2OCC(F)(F)F)[nH+]c1C ZINC000585142202 1131328368 /nfs/dbraw/zinc/32/83/68/1131328368.db2.gz RIPMJDIZRPKQHO-UHFFFAOYSA-N 1 2 299.296 3.580 50 0 CHAALO CC(C)Cc1nnc([C@H](C)[N@H+](C)Cc2ccsc2)o1 ZINC000095978595 185052442 /nfs/dbraw/zinc/05/24/42/185052442.db2.gz HQULVZQDDYHTES-NSHDSACASA-N 1 2 279.409 3.523 50 0 CHAALO CC(C)Cc1nnc([C@H](C)[N@@H+](C)Cc2ccsc2)o1 ZINC000095978595 185052444 /nfs/dbraw/zinc/05/24/44/185052444.db2.gz HQULVZQDDYHTES-NSHDSACASA-N 1 2 279.409 3.523 50 0 CHAALO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000095984325 185055145 /nfs/dbraw/zinc/05/51/45/185055145.db2.gz VBCZSTVMKLQECB-AWEZNQCLSA-N 1 2 287.407 3.632 50 0 CHAALO CC(C)n1cc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000095990587 185057268 /nfs/dbraw/zinc/05/72/68/185057268.db2.gz NMKCBRFPJHKMRM-CQSZACIVSA-N 1 2 295.390 3.823 50 0 CHAALO Cc1ccc(C)c(OCCCn2cc[nH+]c2)c1Cl ZINC000004841917 170028505 /nfs/dbraw/zinc/02/85/05/170028505.db2.gz CSXPIXWJFODVLA-UHFFFAOYSA-N 1 2 264.756 3.622 50 0 CHAALO CCCCC[C@H](C)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000005866265 170148679 /nfs/dbraw/zinc/14/86/79/170148679.db2.gz SBSATEQMPCDNCN-LBPRGKRZSA-N 1 2 261.369 3.895 50 0 CHAALO COc1ccc(Nc2cc(C)c3cc(N)ccc3[nH+]2)cc1 ZINC000006721948 170232378 /nfs/dbraw/zinc/23/23/78/170232378.db2.gz RTTVGTLGJCUVDZ-UHFFFAOYSA-N 1 2 279.343 3.878 50 0 CHAALO CC[C@H](C)c1[nH]nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000020782895 171272682 /nfs/dbraw/zinc/27/26/82/171272682.db2.gz DELKSZMBVQEQLN-NSHDSACASA-N 1 2 275.421 3.543 50 0 CHAALO CC[C@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000020782895 171272684 /nfs/dbraw/zinc/27/26/84/171272684.db2.gz DELKSZMBVQEQLN-NSHDSACASA-N 1 2 275.421 3.543 50 0 CHAALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccncc3)cc2[nH+]1 ZINC000071281985 176108691 /nfs/dbraw/zinc/10/86/91/176108691.db2.gz HBKRXZWWUQRYPY-UHFFFAOYSA-N 1 2 294.358 3.508 50 0 CHAALO COc1cc(C)c(-c2[nH+]ccn2CC(F)(F)F)cc1C ZINC000071479714 176187453 /nfs/dbraw/zinc/18/74/53/176187453.db2.gz ZQBAOYZXMHRLCU-UHFFFAOYSA-N 1 2 284.281 3.738 50 0 CHAALO C[C@H](O)Cn1cc[nH+]c1-c1ccccc1-c1ccccc1 ZINC000071575318 176203016 /nfs/dbraw/zinc/20/30/16/176203016.db2.gz SGDMRURVUPSJDN-AWEZNQCLSA-N 1 2 278.355 3.598 50 0 CHAALO CCc1ccc(-c2[nH+]ccn2Cc2nc(C(C)C)no2)cc1 ZINC000071763790 176261754 /nfs/dbraw/zinc/26/17/54/176261754.db2.gz PFVNJQGKGJPURX-UHFFFAOYSA-N 1 2 296.374 3.667 50 0 CHAALO c1ccc2c(c1)CC[C@@H]2[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000071826823 176271986 /nfs/dbraw/zinc/27/19/86/176271986.db2.gz AOWJRBPQMGVSCY-INIZCTEOSA-N 1 2 295.386 3.599 50 0 CHAALO c1ccc2c(c1)CC[C@@H]2[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000071826823 176271988 /nfs/dbraw/zinc/27/19/88/176271988.db2.gz AOWJRBPQMGVSCY-INIZCTEOSA-N 1 2 295.386 3.599 50 0 CHAALO CC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000071902997 176294763 /nfs/dbraw/zinc/29/47/63/176294763.db2.gz GQZSLZOQKGZFAA-UHFFFAOYSA-N 1 2 296.370 3.746 50 0 CHAALO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnc(C)o2)o1 ZINC000071916186 176299495 /nfs/dbraw/zinc/29/94/95/176299495.db2.gz HWMBOEZTYHQPGT-AWEZNQCLSA-N 1 2 289.379 3.651 50 0 CHAALO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnc(C)o2)o1 ZINC000071916186 176299497 /nfs/dbraw/zinc/29/94/97/176299497.db2.gz HWMBOEZTYHQPGT-AWEZNQCLSA-N 1 2 289.379 3.651 50 0 CHAALO FC(F)(F)C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000179313429 329207426 /nfs/dbraw/zinc/20/74/26/329207426.db2.gz ULHIDNHVZOFRON-UHFFFAOYSA-N 1 2 290.354 3.795 50 0 CHAALO FC(F)(F)c1cnc(CCCn2cc[nH+]c2)c(Cl)c1 ZINC000082138761 567906932 /nfs/dbraw/zinc/90/69/32/567906932.db2.gz HTGGOTOQATVHLT-UHFFFAOYSA-N 1 2 289.688 3.583 50 0 CHAALO COc1ccc(-c2cc3c4[nH+]c(C)n(C)c4ccn3c2)cc1 ZINC000001270581 566861160 /nfs/dbraw/zinc/86/11/60/566861160.db2.gz DZJUEUMEHHDPJD-UHFFFAOYSA-N 1 2 291.354 3.810 50 0 CHAALO CC(C)(C)CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000426550085 566988883 /nfs/dbraw/zinc/98/88/83/566988883.db2.gz UGKQQDFIRCTRLP-INIZCTEOSA-N 1 2 299.418 3.567 50 0 CHAALO CC(C)(C)[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1cccs1 ZINC000064938935 566996373 /nfs/dbraw/zinc/99/63/73/566996373.db2.gz USLNADOISYNWKB-ZDUSSCGKSA-N 1 2 291.420 3.886 50 0 CHAALO Cn1c2cccc(Cl)c2[nH+]c1NCc1cccs1 ZINC000170596733 567011429 /nfs/dbraw/zinc/01/14/29/567011429.db2.gz YVBNJJXYHIROKD-UHFFFAOYSA-N 1 2 277.780 3.900 50 0 CHAALO 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Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000052007444 570238564 /nfs/dbraw/zinc/23/85/64/570238564.db2.gz YDICJOGHABYNFL-ZDUSSCGKSA-N 1 2 278.302 3.598 50 0 CHAALO C[C@H]([NH2+]C(C)(C)c1ccc(F)cc1Cl)c1cnccn1 ZINC000097037760 570251320 /nfs/dbraw/zinc/25/13/20/570251320.db2.gz LGAZZBSLTPLOEX-JTQLQIEISA-N 1 2 293.773 3.855 50 0 CHAALO CC(C)c1ccc(OC/C=C/Cn2cc[nH+]c2)cc1 ZINC000012383034 570338895 /nfs/dbraw/zinc/33/88/95/570338895.db2.gz BRVDNYXYADHZLW-ONEGZZNKSA-N 1 2 256.349 3.642 50 0 CHAALO Cc1nnc(C[N@@H+](C)[C@@H](c2ccccc2Cl)C(C)C)o1 ZINC000079097385 570396585 /nfs/dbraw/zinc/39/65/85/570396585.db2.gz WJGYNXSJZGKMTR-OAHLLOKOSA-N 1 2 293.798 3.861 50 0 CHAALO Cc1nnc(C[N@H+](C)[C@@H](c2ccccc2Cl)C(C)C)o1 ZINC000079097385 570396586 /nfs/dbraw/zinc/39/65/86/570396586.db2.gz WJGYNXSJZGKMTR-OAHLLOKOSA-N 1 2 293.798 3.861 50 0 CHAALO COc1ccc(Cl)cc1-c1c[nH+]c(C)c(N)c1C ZINC000952980264 617263449 /nfs/dbraw/zinc/26/34/49/617263449.db2.gz PABJSRXKVUBCND-UHFFFAOYSA-N 1 2 262.740 3.610 50 0 CHAALO CCN(CC)c1nc(N2CCC[C@H](C)C2)[nH+]c2ccccc21 ZINC000041147894 1121262133 /nfs/dbraw/zinc/26/21/33/1121262133.db2.gz QSZVWVZNWUZBEB-AWEZNQCLSA-N 1 2 298.434 3.712 50 0 CHAALO FC1(F)C[C@@H](COc2ccncc2)[N@@H+](C2CCCCC2)C1 ZINC000409421621 1135132565 /nfs/dbraw/zinc/13/25/65/1135132565.db2.gz KAZHCFVLENGFNY-AWEZNQCLSA-N 1 2 296.361 3.503 50 0 CHAALO FC1(F)C[C@@H](COc2ccncc2)[N@H+](C2CCCCC2)C1 ZINC000409421621 1135132567 /nfs/dbraw/zinc/13/25/67/1135132567.db2.gz KAZHCFVLENGFNY-AWEZNQCLSA-N 1 2 296.361 3.503 50 0 CHAALO COc1ccccc1[C@@H]([NH2+]Cc1ncc(C)o1)C(C)(C)C ZINC000096492414 230382864 /nfs/dbraw/zinc/38/28/64/230382864.db2.gz PTMJZORDXNDTDP-MRXNPFEDSA-N 1 2 288.391 3.869 50 0 CHAALO CCOCc1ccccc1NCc1[nH+]ccn1C(C)C ZINC000095965276 185045788 /nfs/dbraw/zinc/04/57/88/185045788.db2.gz FTMSQOPSGKQDIQ-UHFFFAOYSA-N 1 2 273.380 3.613 50 0 CHAALO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc(F)c1F ZINC000096007875 185064135 /nfs/dbraw/zinc/06/41/35/185064135.db2.gz MZFCRBUNJWBAOF-GFCCVEGCSA-N 1 2 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2 299.399 3.930 50 0 CHAALO CC(C)c1nccc(C[N@H+](C)Cc2ccccc2Cl)n1 ZINC000218943204 262348398 /nfs/dbraw/zinc/34/83/98/262348398.db2.gz LFYVDZDXZFVCLM-UHFFFAOYSA-N 1 2 289.810 3.885 50 0 CHAALO CC(C)c1nccc(C[N@@H+](C)Cc2ccccc2Cl)n1 ZINC000218943204 262348399 /nfs/dbraw/zinc/34/83/99/262348399.db2.gz LFYVDZDXZFVCLM-UHFFFAOYSA-N 1 2 289.810 3.885 50 0 CHAALO C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2cccs2)[N@@H+]1C ZINC000096576537 265373528 /nfs/dbraw/zinc/37/35/28/265373528.db2.gz UFDNKBVVFFWGRF-BYCMXARLSA-N 1 2 259.374 3.839 50 0 CHAALO C[C@@H]1[C@@H](c2ccccc2)O[C@H](c2cccs2)[N@H+]1C ZINC000096576537 265373531 /nfs/dbraw/zinc/37/35/31/265373531.db2.gz UFDNKBVVFFWGRF-BYCMXARLSA-N 1 2 259.374 3.839 50 0 CHAALO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nnc(C2CC2)o1 ZINC000097374259 329527048 /nfs/dbraw/zinc/52/70/48/329527048.db2.gz TUFKBOGZWLCTCH-NSHDSACASA-N 1 2 297.358 3.852 50 0 CHAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)C1CCC1 ZINC000575609333 566945557 /nfs/dbraw/zinc/94/55/57/566945557.db2.gz WATVKMQLJXFEHK-UHFFFAOYSA-N 1 2 295.386 3.625 50 0 CHAALO CCc1[nH+]c2ccccc2n1Cc1ccccc1F ZINC000000352868 566954941 /nfs/dbraw/zinc/95/49/41/566954941.db2.gz WKKFATABUAWPGA-UHFFFAOYSA-N 1 2 254.308 3.786 50 0 CHAALO CC[C@H](C)NC(=O)CCc1ccc2[nH+]c(C(C)C)[nH]c2c1 ZINC000075478726 566958570 /nfs/dbraw/zinc/95/85/70/566958570.db2.gz DJDLNAGOICMWDP-LBPRGKRZSA-N 1 2 287.407 3.534 50 0 CHAALO CC[C@H](C)NC(=O)CCc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC000075478726 566958575 /nfs/dbraw/zinc/95/85/75/566958575.db2.gz DJDLNAGOICMWDP-LBPRGKRZSA-N 1 2 287.407 3.534 50 0 CHAALO COc1ccc(-c2[nH+]ccn2C(C)C)c2ccc(C)nc12 ZINC000426674345 566991856 /nfs/dbraw/zinc/99/18/56/566991856.db2.gz SMSIENZPTFQLHQ-UHFFFAOYSA-N 1 2 281.359 3.996 50 0 CHAALO Cc1cc2nnn(-c3cc[nH+]c4ccccc43)c2cc1C ZINC000006714646 566993950 /nfs/dbraw/zinc/99/39/50/566993950.db2.gz WZVKWLYGVZQZJM-UHFFFAOYSA-N 1 2 274.327 3.586 50 0 CHAALO c1cc(N(CC2CC2)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000170626214 567016120 /nfs/dbraw/zinc/01/61/20/567016120.db2.gz LAMVHAWMLIWMAT-UHFFFAOYSA-N 1 2 271.408 3.903 50 0 CHAALO Cc1occc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089869855 567027611 /nfs/dbraw/zinc/02/76/11/567027611.db2.gz VMIQFYHWRDZZTI-UHFFFAOYSA-N 1 2 295.342 3.604 50 0 CHAALO CC(C)c1ccc(C2N3CC4(C)C[NH+]2CC(C)(C3)C4)cc1 ZINC000019322369 567120110 /nfs/dbraw/zinc/12/01/10/567120110.db2.gz HNYLDXMXWHFACH-UHFFFAOYSA-N 1 2 284.447 3.856 50 0 biogenic CHAALO COc1cc[nH+]cc1NC(=O)c1csc2ccccc12 ZINC000390834553 567126359 /nfs/dbraw/zinc/12/63/59/567126359.db2.gz CHYTTXNPFQBDLJ-UHFFFAOYSA-N 1 2 284.340 3.557 50 0 CHAALO CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)on1 ZINC000095423062 567131937 /nfs/dbraw/zinc/13/19/37/567131937.db2.gz YCJXPQUSUNZGKJ-JTQLQIEISA-N 1 2 294.782 3.750 50 0 CHAALO Cc1[nH+]c2ccc(Br)cc2n1C(C)(C)C ZINC000095629693 567136455 /nfs/dbraw/zinc/13/64/55/567136455.db2.gz SWXZXPZZABCIAC-UHFFFAOYSA-N 1 2 267.170 3.862 50 0 CHAALO CCNc1c2ccccc2[nH+]c2c1C(=O)CC(C)(C)C2 ZINC000002476635 567147125 /nfs/dbraw/zinc/14/71/25/567147125.db2.gz LGKXKXHLMZBIGB-UHFFFAOYSA-N 1 2 268.360 3.822 50 0 biogenic CHAALO c1ccc2[nH]c(SCCc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000000029039 567816545 /nfs/dbraw/zinc/81/65/45/567816545.db2.gz YQQZGWBINJCVEO-UHFFFAOYSA-N 1 2 294.383 3.774 50 0 CHAALO Cc1cccn2cc(-c3ccc(NC(=O)C(C)C)cc3)[nH+]c12 ZINC000000079495 567817863 /nfs/dbraw/zinc/81/78/63/567817863.db2.gz FDZYEAAFQSGDFO-UHFFFAOYSA-N 1 2 293.370 3.904 50 0 CHAALO CC1(C)C[NH+]=C(Nc2cccc(C(F)(F)F)c2)S1 ZINC000000135022 567819832 /nfs/dbraw/zinc/81/98/32/567819832.db2.gz NICNMRAINRVNPL-UHFFFAOYSA-N 1 2 274.311 3.999 50 0 CHAALO CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000000425601 567830120 /nfs/dbraw/zinc/83/01/20/567830120.db2.gz STHOXMOLNPJMNF-ZDUSSCGKSA-N 1 2 295.390 3.643 50 0 CHAALO CCc1[nH+]c2ccccc2n1C[C@H]1CC1(Cl)Cl ZINC000000462399 567831635 /nfs/dbraw/zinc/83/16/35/567831635.db2.gz UJZAGOWJNGCRRQ-SECBINFHSA-N 1 2 269.175 3.793 50 0 CHAALO Cc1[nH+]c2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C ZINC000000470745 567832075 /nfs/dbraw/zinc/83/20/75/567832075.db2.gz ARVNUBGNNACWMA-UHFFFAOYSA-N 1 2 298.321 3.665 50 0 CHAALO OCCCc1[nH+]c2ccccc2n1CCC1CCCCC1 ZINC000001762301 567843190 /nfs/dbraw/zinc/84/31/90/567843190.db2.gz NQVIAWRLZUICEA-UHFFFAOYSA-N 1 2 286.419 3.932 50 0 CHAALO O=C(c1ccccc1)c1ccc2[nH]c[nH+]c3cccc1c23 ZINC000003098266 567851407 /nfs/dbraw/zinc/85/14/07/567851407.db2.gz BTNIOSVCPNBPKM-UHFFFAOYSA-N 1 2 272.307 3.947 50 0 CHAALO Cc1cccc2[nH+]c(CSc3ccccc3N)cn21 ZINC000004032206 567854935 /nfs/dbraw/zinc/85/49/35/567854935.db2.gz JICUJUBWALVWFU-UHFFFAOYSA-N 1 2 269.373 3.517 50 0 CHAALO CSc1ccc2c(C)cc(N3CCSCC3)[nH+]c2c1 ZINC000023634837 567881864 /nfs/dbraw/zinc/88/18/64/567881864.db2.gz KBABLVIZMQNFGA-UHFFFAOYSA-N 1 2 290.457 3.818 50 0 CHAALO COc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000029474868 567884390 /nfs/dbraw/zinc/88/43/90/567884390.db2.gz HZNKDLUKNUEOOX-UHFFFAOYSA-N 1 2 285.372 3.567 50 0 CHAALO Cc1cc(NC2CCC(O)CC2)[nH+]c2cc(Cl)ccc12 ZINC000023550082 567888596 /nfs/dbraw/zinc/88/85/96/567888596.db2.gz AYMRLMUVPDLCSW-UHFFFAOYSA-N 1 2 290.794 3.912 50 0 CHAALO Cc1ccc2sc(NCCCn3cc[nH+]c3)nc2c1C ZINC000034936044 567888906 /nfs/dbraw/zinc/88/89/06/567888906.db2.gz AVIZYIDIUSSYHW-UHFFFAOYSA-N 1 2 286.404 3.612 50 0 CHAALO C[C@H](Nc1nc(N(C)C)[nH+]c2ccccc21)c1ccccc1 ZINC000041153718 567890910 /nfs/dbraw/zinc/89/09/10/567890910.db2.gz CYLRCQLZEMBZKV-ZDUSSCGKSA-N 1 2 292.386 3.869 50 0 CHAALO C1=CCC(n2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)C1 ZINC000065508512 567899529 /nfs/dbraw/zinc/89/95/29/567899529.db2.gz VLTAGKHUCGFMRB-HNNXBMFYSA-N 1 2 280.371 3.945 50 0 CHAALO CCc1noc(C)c1COc1cc2c[nH+]ccc2cc1OC ZINC000097115042 567904635 /nfs/dbraw/zinc/90/46/35/567904635.db2.gz VNPPFDPLEITQJW-UHFFFAOYSA-N 1 2 298.342 3.681 50 0 CHAALO CCc1cc(OCCCc2nnc(C)o2)c2ccccc2[nH+]1 ZINC000097047968 567906568 /nfs/dbraw/zinc/90/65/68/567906568.db2.gz RFOIAZOKKCNJLT-UHFFFAOYSA-N 1 2 297.358 3.500 50 0 CHAALO CCc1ccccc1Nc1nc(C)[nH+]c2c1CCC2 ZINC000011907761 567928893 /nfs/dbraw/zinc/92/88/93/567928893.db2.gz XSMWEVGYJPMYGE-UHFFFAOYSA-N 1 2 253.349 3.580 50 0 CHAALO Cc1ncc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)s1 ZINC000047259524 567945521 /nfs/dbraw/zinc/94/55/21/567945521.db2.gz BJICMCQROPBWRE-UHFFFAOYSA-N 1 2 299.399 3.739 50 0 CHAALO Cc1ncc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)s1 ZINC000047259524 567945523 /nfs/dbraw/zinc/94/55/23/567945523.db2.gz BJICMCQROPBWRE-UHFFFAOYSA-N 1 2 299.399 3.739 50 0 CHAALO Cc1ccc([C@H]2C[N@H+](CCC(F)(F)F)CCO2)c(C)c1 ZINC000225431884 567953407 /nfs/dbraw/zinc/95/34/07/567953407.db2.gz IVGAGQFJDYONSM-CQSZACIVSA-N 1 2 287.325 3.629 50 0 CHAALO Cc1ccc([C@H]2C[N@@H+](CCC(F)(F)F)CCO2)c(C)c1 ZINC000225431884 567953409 /nfs/dbraw/zinc/95/34/09/567953409.db2.gz IVGAGQFJDYONSM-CQSZACIVSA-N 1 2 287.325 3.629 50 0 CHAALO COc1cccc(CCn2cc[nH+]c2-c2ccsc2)c1 ZINC000067434142 570246204 /nfs/dbraw/zinc/24/62/04/570246204.db2.gz NWKAUJIQEBBFMD-UHFFFAOYSA-N 1 2 284.384 3.863 50 0 CHAALO CCC[N@H+](Cc1cncn1C1CC1)Cc1ccccc1F ZINC000244691681 570321094 /nfs/dbraw/zinc/32/10/94/570321094.db2.gz JHDFWFQBCNRHSD-UHFFFAOYSA-N 1 2 287.382 3.769 50 0 CHAALO CCC[N@@H+](Cc1cncn1C1CC1)Cc1ccccc1F ZINC000244691681 570321095 /nfs/dbraw/zinc/32/10/95/570321095.db2.gz JHDFWFQBCNRHSD-UHFFFAOYSA-N 1 2 287.382 3.769 50 0 CHAALO CCCN(Cc1c[nH+]cn1C1CC1)Cc1ccccc1F ZINC000244691681 570321096 /nfs/dbraw/zinc/32/10/96/570321096.db2.gz JHDFWFQBCNRHSD-UHFFFAOYSA-N 1 2 287.382 3.769 50 0 CHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)C(C)(C)C ZINC000012520513 570326809 /nfs/dbraw/zinc/32/68/09/570326809.db2.gz ANSNWGGPGOYVNU-UHFFFAOYSA-N 1 2 272.392 3.994 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2[nH+]1 ZINC000170015604 570361955 /nfs/dbraw/zinc/36/19/55/570361955.db2.gz WNGQCGHJUPBNGX-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO Cc1[nH]c2cc(NC(=O)c3ccc4[nH]ccc4c3)ccc2[nH+]1 ZINC000170015604 570361960 /nfs/dbraw/zinc/36/19/60/570361960.db2.gz WNGQCGHJUPBNGX-UHFFFAOYSA-N 1 2 290.326 3.605 50 0 CHAALO Cc1c[nH+]ccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000069736989 570402256 /nfs/dbraw/zinc/40/22/56/570402256.db2.gz MKWCKLBDRRNFGF-ZDUSSCGKSA-N 1 2 286.400 3.650 50 0 CHAALO Cc1ccc(Nc2cc(N3CCCCC3)nc[nH+]2)cc1C ZINC000009561399 570404072 /nfs/dbraw/zinc/40/40/72/570404072.db2.gz KYWZNYQPUQNRAI-UHFFFAOYSA-N 1 2 282.391 3.827 50 0 CHAALO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ncc[nH]1 ZINC000138905988 1126794150 /nfs/dbraw/zinc/79/41/50/1126794150.db2.gz OHEZFJCKQZNLSX-UWVGGRQHSA-N 1 2 294.196 3.584 50 0 CHAALO Cc1ncc(C[N@@H+](C)Cc2ccccc2OC(F)F)s1 ZINC000076744546 1128787719 /nfs/dbraw/zinc/78/77/19/1128787719.db2.gz JPGAIHPLGAZYOG-UHFFFAOYSA-N 1 2 298.358 3.685 50 0 CHAALO Cc1ncc(C[N@H+](C)Cc2ccccc2OC(F)F)s1 ZINC000076744546 1128787724 /nfs/dbraw/zinc/78/77/24/1128787724.db2.gz JPGAIHPLGAZYOG-UHFFFAOYSA-N 1 2 298.358 3.685 50 0 CHAALO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(Cl)cc(Cl)c1F ZINC000692315131 1118596226 /nfs/dbraw/zinc/59/62/26/1118596226.db2.gz RLLZTGWRUNLSLW-ZETCQYMHSA-N 1 2 288.153 3.706 50 0 CHAALO CO[C@H](C)c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000426538663 1122816167 /nfs/dbraw/zinc/81/61/67/1122816167.db2.gz UZZQAQUFOXVEEV-CQSZACIVSA-N 1 2 293.370 3.701 50 0 CHAALO Cc1[nH]c2ccc(OC(=O)[C@H]3CCCC(F)(F)C3)cc2[nH+]1 ZINC000585086535 1131278605 /nfs/dbraw/zinc/27/86/05/1131278605.db2.gz DZKDOHJXAQPYJR-JTQLQIEISA-N 1 2 294.301 3.602 50 0 CHAALO Cc1ccc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000095508849 185000775 /nfs/dbraw/zinc/00/07/75/185000775.db2.gz FNLDHLRLBYOCDY-UHFFFAOYSA-N 1 2 287.363 3.572 50 0 CHAALO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)c1nnc(C)o1 ZINC000170908914 230395587 /nfs/dbraw/zinc/39/55/87/230395587.db2.gz ZXQPBNHYPZBEDI-LLVKDONJSA-N 1 2 299.374 3.880 50 0 CHAALO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)c1nnc(C)o1 ZINC000170908914 230395588 /nfs/dbraw/zinc/39/55/88/230395588.db2.gz ZXQPBNHYPZBEDI-LLVKDONJSA-N 1 2 299.374 3.880 50 0 CHAALO CSc1ccc(NCc2[nH+]ccn2C(C)C)cc1F ZINC000095965299 185045534 /nfs/dbraw/zinc/04/55/34/185045534.db2.gz BWEKUZBXHIKQKD-UHFFFAOYSA-N 1 2 279.384 3.937 50 0 CHAALO COc1ccc2c(c1)N=C/C2=C\C=C1C=C[NH+](C)C=C1 ZINC000334157085 206120862 /nfs/dbraw/zinc/12/08/62/206120862.db2.gz DSYYFEGPVKENMU-LNKIKWGQSA-N 1 2 264.328 3.694 50 0 CHAALO Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)c[nH+]1 ZINC000257355051 190037716 /nfs/dbraw/zinc/03/77/16/190037716.db2.gz KHPCIHZXOGHCLY-UHFFFAOYSA-N 1 2 296.761 3.628 50 0 in-vitro CHAALO Cc1cc(C)n(-c2cc[nH+]c3cc(Cl)ccc32)n1 ZINC000001387696 169698482 /nfs/dbraw/zinc/69/84/82/169698482.db2.gz NOWCXGQSJPMTNV-UHFFFAOYSA-N 1 2 257.724 3.691 50 0 CHAALO CC(C)(C)c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000002494287 169795563 /nfs/dbraw/zinc/79/55/63/169795563.db2.gz KBPRAAWPBQZBRZ-UHFFFAOYSA-N 1 2 258.365 3.650 50 0 CHAALO CCn1c2ccccc2[nH+]c1NCc1ccc(C)cc1 ZINC000004741712 170008935 /nfs/dbraw/zinc/00/89/35/170008935.db2.gz ZUVIDYIQALKSJM-UHFFFAOYSA-N 1 2 265.360 3.977 50 0 CHAALO COc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000004990175 170050751 /nfs/dbraw/zinc/05/07/51/170050751.db2.gz JWJIBIVIGYLSSW-UHFFFAOYSA-N 1 2 292.382 3.735 50 0 CHAALO COc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000004990175 170050752 /nfs/dbraw/zinc/05/07/52/170050752.db2.gz JWJIBIVIGYLSSW-UHFFFAOYSA-N 1 2 292.382 3.735 50 0 CHAALO C[N@H+](Cc1cc2ccccc2s1)Cc1nc(C2CC2)no1 ZINC000020600929 171266359 /nfs/dbraw/zinc/26/63/59/171266359.db2.gz FFVJRKHFVLIOHI-UHFFFAOYSA-N 1 2 299.399 3.794 50 0 CHAALO C[N@@H+](Cc1cc2ccccc2s1)Cc1nc(C2CC2)no1 ZINC000020600929 171266360 /nfs/dbraw/zinc/26/63/60/171266360.db2.gz FFVJRKHFVLIOHI-UHFFFAOYSA-N 1 2 299.399 3.794 50 0 CHAALO CCCC[C@@H](CC)n1[nH]c(=O)c2c1[nH+]c(C)cc2C ZINC000020867757 171276707 /nfs/dbraw/zinc/27/67/07/171276707.db2.gz FTHBEKDKKWHFIE-GFCCVEGCSA-N 1 2 261.369 3.895 50 0 CHAALO CC[C@@H](C)Oc1c(Cl)cc(-c2[nH]cc[nH+]2)cc1OC ZINC000067641282 567899919 /nfs/dbraw/zinc/89/99/19/567899919.db2.gz JXUFPJQGSOKBBL-SECBINFHSA-N 1 2 280.755 3.916 50 0 CHAALO C[C@@H]1CCN2C(c3ccc(Cl)cc3)=CSC2=[NH+]1 ZINC000003354339 566848701 /nfs/dbraw/zinc/84/87/01/566848701.db2.gz XTNLAKMNNFQJAZ-SECBINFHSA-N 1 2 264.781 3.835 50 0 CHAALO FC(F)(F)CC[N@H+](Cc1cscn1)C1CCCC1 ZINC000084681946 566884552 /nfs/dbraw/zinc/88/45/52/566884552.db2.gz RUHKAMZIOKEJLN-UHFFFAOYSA-N 1 2 278.343 3.840 50 0 CHAALO FC(F)(F)CC[N@@H+](Cc1cscn1)C1CCCC1 ZINC000084681946 566884561 /nfs/dbraw/zinc/88/45/61/566884561.db2.gz RUHKAMZIOKEJLN-UHFFFAOYSA-N 1 2 278.343 3.840 50 0 CHAALO CO[C@H](C)c1cccc(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000075092086 566936395 /nfs/dbraw/zinc/93/63/95/566936395.db2.gz FLLJROVMOBOKAO-CQSZACIVSA-N 1 2 295.386 3.962 50 0 CHAALO C[C@H](c1cccs1)[N@H+](C)Cc1noc(-c2ccoc2)n1 ZINC000069377041 566942026 /nfs/dbraw/zinc/94/20/26/566942026.db2.gz FWPFQPSGPDOSOW-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO C[C@H](c1cccs1)[N@@H+](C)Cc1noc(-c2ccoc2)n1 ZINC000069377041 566942033 /nfs/dbraw/zinc/94/20/33/566942033.db2.gz FWPFQPSGPDOSOW-SNVBAGLBSA-N 1 2 289.360 3.584 50 0 CHAALO COc1ccccc1[C@@H]([NH2+]Cc1cccnc1)c1ccco1 ZINC000151135910 566957380 /nfs/dbraw/zinc/95/73/80/566957380.db2.gz IWGQLFKCBGUQNL-GOSISDBHSA-N 1 2 294.354 3.562 50 0 CHAALO CCCc1noc(C[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000065575468 567010225 /nfs/dbraw/zinc/01/02/25/567010225.db2.gz ZUVXGAOHGJJZJN-JTQLQIEISA-N 1 2 279.771 3.526 50 0 CHAALO Cc1cc(CSCc2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000089608714 567023712 /nfs/dbraw/zinc/02/37/12/567023712.db2.gz AZQBLDJUFDUHAI-UHFFFAOYSA-N 1 2 285.372 3.602 50 0 CHAALO CC(C)c1nc(C[N@H+](Cc2ccncc2)C2CC2)cs1 ZINC000093221554 567121156 /nfs/dbraw/zinc/12/11/56/567121156.db2.gz QCZQWFQDKJFMAX-UHFFFAOYSA-N 1 2 287.432 3.826 50 0 CHAALO CC(C)c1nc(C[N@@H+](Cc2ccncc2)C2CC2)cs1 ZINC000093221554 567121164 /nfs/dbraw/zinc/12/11/64/567121164.db2.gz QCZQWFQDKJFMAX-UHFFFAOYSA-N 1 2 287.432 3.826 50 0 CHAALO CCc1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2F)on1 ZINC000095423058 567130715 /nfs/dbraw/zinc/13/07/15/567130715.db2.gz FAPGTYGALURDMX-HNNXBMFYSA-N 1 2 280.318 3.756 50 0 CHAALO Cc1c[nH+]cc(NCc2ccc(Oc3cnccn3)cc2)c1 ZINC000095430910 567134629 /nfs/dbraw/zinc/13/46/29/567134629.db2.gz DLNYJIQJOQCBSJ-UHFFFAOYSA-N 1 2 292.342 3.584 50 0 CHAALO Fc1cccc(C[NH2+]Cc2csc(C3CCC3)n2)c1 ZINC000227154267 567154764 /nfs/dbraw/zinc/15/47/64/567154764.db2.gz UVWFZVHOZZCWJB-UHFFFAOYSA-N 1 2 276.380 3.840 50 0 CHAALO Cc1[nH+]c2ccc(Br)cc2c2c1C[C@H](C)O2 ZINC000000247879 567822738 /nfs/dbraw/zinc/82/27/38/567822738.db2.gz HFSXFXXXGXEDJT-ZETCQYMHSA-N 1 2 278.149 3.629 50 0 biogenic CHAALO Cc1nc2ccccc2n1Cn1c(C)[nH+]c2ccccc21 ZINC000000392390 567828828 /nfs/dbraw/zinc/82/88/28/567828828.db2.gz VLNMECJWHIZPIH-UHFFFAOYSA-N 1 2 276.343 3.509 50 0 CHAALO C[C@@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000013119962 567864972 /nfs/dbraw/zinc/86/49/72/567864972.db2.gz IKSGNXSKFBMJLS-MZMPZRCHSA-N 1 2 265.356 3.668 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2[nH+]1 ZINC000010896065 567882181 /nfs/dbraw/zinc/88/21/81/567882181.db2.gz JRFHWVMQQNYTFI-UHFFFAOYSA-N 1 2 299.761 3.706 50 0 CHAALO CC(C)c1ccccc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000029864667 567884578 /nfs/dbraw/zinc/88/45/78/567884578.db2.gz OBCNWRIFNCEFHH-UHFFFAOYSA-N 1 2 293.370 3.639 50 0 CHAALO Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)s1 ZINC000030643625 567884838 /nfs/dbraw/zinc/88/48/38/567884838.db2.gz YMVIFNRMTMTBAS-MRXNPFEDSA-N 1 2 297.427 3.669 50 0 CHAALO NC(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000041055087 567890704 /nfs/dbraw/zinc/89/07/04/567890704.db2.gz UGSHGMRESUKBOK-UHFFFAOYSA-N 1 2 297.745 3.731 50 0 CHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)cs1 ZINC000065404676 567899110 /nfs/dbraw/zinc/89/91/10/567899110.db2.gz CNPGIGISNUTMOQ-HNNXBMFYSA-N 1 2 286.400 3.683 50 0 CHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cs1 ZINC000065404676 567899111 /nfs/dbraw/zinc/89/91/11/567899111.db2.gz CNPGIGISNUTMOQ-HNNXBMFYSA-N 1 2 286.400 3.683 50 0 CHAALO Fc1ccc(-c2[nH+]ccn2Cc2ccccn2)c(Cl)c1 ZINC000065404644 567899169 /nfs/dbraw/zinc/89/91/69/567899169.db2.gz QFPALLMQTMXANU-UHFFFAOYSA-N 1 2 287.725 3.786 50 0 CHAALO CCOc1ccc(-c2c[nH]c(C3CC3)[nH+]2)cc1OCC ZINC000065494217 567899582 /nfs/dbraw/zinc/89/95/82/567899582.db2.gz UKUBTDQNYZKTHK-UHFFFAOYSA-N 1 2 272.348 3.752 50 0 CHAALO Fc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(F)(F)F)CC3 ZINC000067714503 567900106 /nfs/dbraw/zinc/90/01/06/567900106.db2.gz BPZFQPHTTIIEIA-UHFFFAOYSA-N 1 2 286.272 3.618 50 0 CHAALO Fc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(F)(F)F)CC3 ZINC000067714503 567900108 /nfs/dbraw/zinc/90/01/08/567900108.db2.gz BPZFQPHTTIIEIA-UHFFFAOYSA-N 1 2 286.272 3.618 50 0 CHAALO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000067674260 567900365 /nfs/dbraw/zinc/90/03/65/567900365.db2.gz KHITXNLPLUPMFV-UHFFFAOYSA-N 1 2 297.402 3.667 50 0 CHAALO Cc1cc(C2CCC2)nc(N[C@@H](C)Cc2cccc(C)[nH+]2)n1 ZINC000071775752 567902181 /nfs/dbraw/zinc/90/21/81/567902181.db2.gz MLDCOJMKDXTBLU-ZDUSSCGKSA-N 1 2 296.418 3.799 50 0 CHAALO Cc1[nH]c2ccc(NC(=O)CCCc3ccccc3)cc2[nH+]1 ZINC000060613872 567902965 /nfs/dbraw/zinc/90/29/65/567902965.db2.gz HZNPACWJJFISRZ-UHFFFAOYSA-N 1 2 293.370 3.833 50 0 CHAALO Cc1[nH+]c(Nc2ccccc2)nc(Nc2ccccc2)c1N ZINC000016249523 567908534 /nfs/dbraw/zinc/90/85/34/567908534.db2.gz ONLHPFBFTMCSQJ-UHFFFAOYSA-N 1 2 291.358 3.854 50 0 CHAALO CN(Cc1cc(-c2ccccc2)no1)c1cc[nH+]cc1F ZINC000095361782 567909466 /nfs/dbraw/zinc/90/94/66/567909466.db2.gz FOJRZHLBKUBIPG-UHFFFAOYSA-N 1 2 283.306 3.512 50 0 CHAALO c1ccc2[nH]c([C@@H]3CCCC[N@H+]3Cc3cccnc3)nc2c1 ZINC000097243649 567910570 /nfs/dbraw/zinc/91/05/70/567910570.db2.gz OOWDHXAPEUPKFM-KRWDZBQOSA-N 1 2 292.386 3.685 50 0 CHAALO c1ccc2[nH]c([C@@H]3CCCC[N@@H+]3Cc3cccnc3)nc2c1 ZINC000097243649 567910571 /nfs/dbraw/zinc/91/05/71/567910571.db2.gz OOWDHXAPEUPKFM-KRWDZBQOSA-N 1 2 292.386 3.685 50 0 CHAALO CC(C)C[C@@H]1CCCC[C@H]1OC(=O)C[NH+]1CCCCC1 ZINC000000171877 567924449 /nfs/dbraw/zinc/92/44/49/567924449.db2.gz SIXWBKPDADVZKS-JKSUJKDBSA-N 1 2 281.440 3.620 50 0 CHAALO Clc1ccc(-c2c[nH+]c3n2CCC3)cc1Cl ZINC000000245542 567925547 /nfs/dbraw/zinc/92/55/47/567925547.db2.gz BTPWUBCTINWAEA-UHFFFAOYSA-N 1 2 253.132 3.803 50 0 CHAALO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1sccc1C ZINC000218820378 567948045 /nfs/dbraw/zinc/94/80/45/567948045.db2.gz MZDSSPYAMLYNDF-UHFFFAOYSA-N 1 2 297.855 3.638 50 0 CHAALO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1sccc1C ZINC000218820378 567948047 /nfs/dbraw/zinc/94/80/47/567948047.db2.gz MZDSSPYAMLYNDF-UHFFFAOYSA-N 1 2 297.855 3.638 50 0 CHAALO c1coc(-c2nc(C[N@@H+]3CCc4ccccc4C3)cs2)c1 ZINC000025311596 570230188 /nfs/dbraw/zinc/23/01/88/570230188.db2.gz JDYOBGOKJBDDEU-UHFFFAOYSA-N 1 2 296.395 3.961 50 0 CHAALO c1coc(-c2nc(C[N@H+]3CCc4ccccc4C3)cs2)c1 ZINC000025311596 570230191 /nfs/dbraw/zinc/23/01/91/570230191.db2.gz JDYOBGOKJBDDEU-UHFFFAOYSA-N 1 2 296.395 3.961 50 0 CHAALO CC1CCC([N@H+](Cc2nnsc2Cl)C2CC2)CC1 ZINC000048331963 570297450 /nfs/dbraw/zinc/29/74/50/570297450.db2.gz AURFQDVKPIJDIY-UHFFFAOYSA-N 1 2 285.844 3.735 50 0 CHAALO CC1CCC([N@@H+](Cc2nnsc2Cl)C2CC2)CC1 ZINC000048331963 570297452 /nfs/dbraw/zinc/29/74/52/570297452.db2.gz AURFQDVKPIJDIY-UHFFFAOYSA-N 1 2 285.844 3.735 50 0 CHAALO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1Cl ZINC000048355920 570297990 /nfs/dbraw/zinc/29/79/90/570297990.db2.gz UHNITSWWYNFBEH-GFCCVEGCSA-N 1 2 260.768 3.718 50 0 CHAALO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1Cl ZINC000048355920 570297991 /nfs/dbraw/zinc/29/79/91/570297991.db2.gz UHNITSWWYNFBEH-GFCCVEGCSA-N 1 2 260.768 3.718 50 0 CHAALO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000095422797 570371773 /nfs/dbraw/zinc/37/17/73/570371773.db2.gz DNDPRWYHBPIODR-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000095422797 570371776 /nfs/dbraw/zinc/37/17/76/570371776.db2.gz DNDPRWYHBPIODR-QGZVFWFLSA-N 1 2 292.386 3.685 50 0 CHAALO