smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(C)c[nH+]c(CSc2nc(=O)ccn2C2CC2)c1C ZINC000078818083 185114894 /nfs/dbraw/zinc/11/48/94/185114894.db2.gz XLIACBFGLXWOMM-UHFFFAOYSA-N 1 2 317.414 2.891 40 0 DFABLO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc[nH+]1 ZINC000079001767 185144653 /nfs/dbraw/zinc/14/46/53/185144653.db2.gz XLGWJVXPZKHLPC-CQSZACIVSA-N 1 2 303.406 2.756 40 0 DFABLO Fc1cccc(F)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329015480 231415985 /nfs/dbraw/zinc/41/59/85/231415985.db2.gz NBOMCFJRSCBLLN-UHFFFAOYSA-N 1 2 302.328 2.794 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000072340002 191126598 /nfs/dbraw/zinc/12/65/98/191126598.db2.gz FCYQKAJYTPKUBT-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO Cc1nc(N2CCC[C@@H]2c2ccnc(-c3ccccn3)n2)cc[nH+]1 ZINC000072355882 191130251 /nfs/dbraw/zinc/13/02/51/191130251.db2.gz WPSAYIJREXFXOM-MRXNPFEDSA-N 1 2 318.384 2.979 40 0 DFABLO Cc1cc(N2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)ncn1 ZINC000072355595 191130148 /nfs/dbraw/zinc/13/01/48/191130148.db2.gz XYHBJECEKKXJCQ-HNNXBMFYSA-N 1 2 306.373 2.707 40 0 DFABLO O=C(C1CCC1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378492 191140488 /nfs/dbraw/zinc/14/04/88/191140488.db2.gz GCFDFJIUJYDQTH-OAHLLOKOSA-N 1 2 310.401 2.773 40 0 DFABLO CNc1ccc([C@H]2C[N@H+](Cc3ccc(OC)cc3)CCO2)nc1 ZINC000072388116 191146578 /nfs/dbraw/zinc/14/65/78/191146578.db2.gz UMJNSYMFOAEWGM-GOSISDBHSA-N 1 2 313.401 2.705 40 0 DFABLO CNc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)cc3)CCO2)nc1 ZINC000072388116 191146580 /nfs/dbraw/zinc/14/65/80/191146580.db2.gz UMJNSYMFOAEWGM-GOSISDBHSA-N 1 2 313.401 2.705 40 0 DFABLO CCn1cc[nH+]c1C[S@@](=O)c1cc(OC)c(OC)cc1C ZINC000081527008 192283554 /nfs/dbraw/zinc/28/35/54/192283554.db2.gz FXRFOUMLSSJIBQ-NRFANRHFSA-N 1 2 308.403 2.536 40 0 DFABLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000195343685 201381070 /nfs/dbraw/zinc/38/10/70/201381070.db2.gz DCEAORLXUSOTFU-UHFFFAOYSA-N 1 2 306.387 2.614 40 0 DFABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnn(C(C)C)c1 ZINC000078988609 399005840 /nfs/dbraw/zinc/00/58/40/399005840.db2.gz ULBFUHXYDWBBGK-UHFFFAOYSA-N 1 2 304.398 2.638 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)co1 ZINC000253595384 202902718 /nfs/dbraw/zinc/90/27/18/202902718.db2.gz CQVCWRGEGOOKLR-GOSISDBHSA-N 1 2 324.384 2.645 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)[nH+]1 ZINC000257297218 203020663 /nfs/dbraw/zinc/02/06/63/203020663.db2.gz RGJFOBXTAFZDPQ-AWEZNQCLSA-N 1 2 301.365 2.806 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257289701 203014891 /nfs/dbraw/zinc/01/48/91/203014891.db2.gz PZVNMGZGOGAHMX-QGZVFWFLSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257289701 203014894 /nfs/dbraw/zinc/01/48/94/203014894.db2.gz PZVNMGZGOGAHMX-QGZVFWFLSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1cc2nc(C3CC[NH+](Cc4cn[nH]c4C)CC3)cc(C)n2n1 ZINC000257291606 203016815 /nfs/dbraw/zinc/01/68/15/203016815.db2.gz QHVHGTYFTDBOOM-UHFFFAOYSA-N 1 2 324.432 2.757 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccnc3ccccc23)[nH+]1 ZINC000257291585 203017034 /nfs/dbraw/zinc/01/70/34/203017034.db2.gz QHQAORSEDOBFSU-QGZVFWFLSA-N 1 2 308.385 2.840 40 0 DFABLO CNc1cc([C@H]2CCCN(C(=O)c3cscn3)C2)cc[nH+]1 ZINC000257294775 203018251 /nfs/dbraw/zinc/01/82/51/203018251.db2.gz QVQYTFYZCUUUHF-LBPRGKRZSA-N 1 2 302.403 2.600 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)[nH+]1 ZINC000257295896 203020226 /nfs/dbraw/zinc/02/02/26/203020226.db2.gz RAIIXENETHPHGX-ZDUSSCGKSA-N 1 2 316.405 2.778 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257332551 203054247 /nfs/dbraw/zinc/05/42/47/203054247.db2.gz XXUREHUOUXSGIA-CYBMUJFWSA-N 1 2 316.405 2.607 40 0 DFABLO CCCCc1ncc(C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257312807 203036752 /nfs/dbraw/zinc/03/67/52/203036752.db2.gz UPPOODLJZQPYOF-RDJZCZTQSA-N 1 2 307.438 2.522 40 0 DFABLO CCCCc1ncc(C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257312807 203036755 /nfs/dbraw/zinc/03/67/55/203036755.db2.gz UPPOODLJZQPYOF-RDJZCZTQSA-N 1 2 307.438 2.522 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257314222 203039504 /nfs/dbraw/zinc/03/95/04/203039504.db2.gz UVWWRGBBFIKELS-GFCCVEGCSA-N 1 2 302.378 2.597 40 0 DFABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccccn3)C2)cs1 ZINC000257323554 203046812 /nfs/dbraw/zinc/04/68/12/203046812.db2.gz WKVQUZUNJIJMFF-AWEZNQCLSA-N 1 2 303.431 2.538 40 0 DFABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccccn3)C2)cs1 ZINC000257323554 203046816 /nfs/dbraw/zinc/04/68/16/203046816.db2.gz WKVQUZUNJIJMFF-AWEZNQCLSA-N 1 2 303.431 2.538 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(C(C)C)[nH]c2=O)[nH+]1 ZINC000257322798 203047361 /nfs/dbraw/zinc/04/73/61/203047361.db2.gz WHKVVLCXJQQORH-CQSZACIVSA-N 1 2 314.389 2.919 40 0 DFABLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000020451822 182218641 /nfs/dbraw/zinc/21/86/41/182218641.db2.gz XDJZSVPFVRXLLF-CQSZACIVSA-N 1 2 321.808 2.900 40 0 DFABLO CN(CCCn1cc[nH+]c1)C(=O)c1ncoc1-c1cccs1 ZINC000083860873 542504349 /nfs/dbraw/zinc/50/43/49/542504349.db2.gz SIQMEZQSBWPMCF-UHFFFAOYSA-N 1 2 316.386 2.762 40 0 DFABLO Cc1[nH]ncc1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000084028306 542505206 /nfs/dbraw/zinc/50/52/06/542505206.db2.gz IKEWSBUIDGXNQC-UHFFFAOYSA-N 1 2 314.433 2.535 40 0 DFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000084290460 542507773 /nfs/dbraw/zinc/50/77/73/542507773.db2.gz NOWRKTGEMZRVRU-KBPBESRZSA-N 1 2 309.369 2.858 40 0 DFABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](C)O ZINC000072224699 257123721 /nfs/dbraw/zinc/12/37/21/257123721.db2.gz HYKYCEBFFKKQTR-ZDUSSCGKSA-N 1 2 321.421 2.500 40 0 DFABLO C[NH+](C)c1ccc(-n2cccc2C=C2SC(=O)NC2=O)cc1 ZINC000408950491 257225156 /nfs/dbraw/zinc/22/51/56/257225156.db2.gz FNNGQJPPGQAIAG-GXDHUFHOSA-N 1 2 313.382 2.867 40 0 DFABLO Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)cc[nH+]1 ZINC000079001808 291959920 /nfs/dbraw/zinc/95/99/20/291959920.db2.gz YOWIRVMUXUISKI-HZPDHXFCSA-N 1 2 315.417 2.757 40 0 DFABLO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H]3CCC[C@@H]3[N@@H+]1CC2 ZINC000004759855 286261257 /nfs/dbraw/zinc/26/12/57/286261257.db2.gz GFMRLSXLFYOCEG-VHDGCEQUSA-N 1 2 301.386 2.745 40 0 DFABLO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H]3CCC[C@@H]3[N@H+]1CC2 ZINC000004759855 286261259 /nfs/dbraw/zinc/26/12/59/286261259.db2.gz GFMRLSXLFYOCEG-VHDGCEQUSA-N 1 2 301.386 2.745 40 0 DFABLO CC[N@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000004230400 425619870 /nfs/dbraw/zinc/61/98/70/425619870.db2.gz YAUQKKIMIVROIS-UHFFFAOYSA-N 1 2 307.401 2.744 40 0 DFABLO CC[N@@H+](Cc1nnnn1Cc1ccccc1)Cc1ccccc1 ZINC000004230400 425619872 /nfs/dbraw/zinc/61/98/72/425619872.db2.gz YAUQKKIMIVROIS-UHFFFAOYSA-N 1 2 307.401 2.744 40 0 DFABLO Cn1cc[nH+]c1[C@@H](NC(=O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000012114993 425717183 /nfs/dbraw/zinc/71/71/83/425717183.db2.gz RTQFFYJSGAQFIK-ZDUSSCGKSA-N 1 2 307.344 2.950 40 0 DFABLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000012221705 425721268 /nfs/dbraw/zinc/72/12/68/425721268.db2.gz WLWWIOFQCALWNL-CQSZACIVSA-N 1 2 320.343 2.593 40 0 DFABLO CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21[NH2+]CCO1 ZINC000022238442 425797599 /nfs/dbraw/zinc/79/75/99/425797599.db2.gz QCAYOGHBCBLICE-BBATYDOGSA-N 1 2 300.402 2.654 40 0 DFABLO O=C(c1cc(F)ccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028210772 425820663 /nfs/dbraw/zinc/82/06/63/425820663.db2.gz JBAYMATUFJNEGD-UHFFFAOYSA-N 1 2 316.351 2.923 40 0 DFABLO CC1(C)CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000112682588 426087668 /nfs/dbraw/zinc/08/76/68/426087668.db2.gz NXWAMBSCEKJRCJ-UHFFFAOYSA-N 1 2 316.445 2.781 40 0 DFABLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccsc1 ZINC000078800656 426186524 /nfs/dbraw/zinc/18/65/24/426186524.db2.gz GCEUDHNIHTXQRZ-MRXNPFEDSA-N 1 2 316.426 2.551 40 0 DFABLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc2c(c1)OCCO2 ZINC000084651789 426243267 /nfs/dbraw/zinc/24/32/67/426243267.db2.gz QNRKODYSFBRMIM-GFCCVEGCSA-N 1 2 323.352 2.597 40 0 DFABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1cccs1 ZINC000096062036 426394653 /nfs/dbraw/zinc/39/46/53/426394653.db2.gz HVNFVZODBOMMQY-CYBMUJFWSA-N 1 2 313.430 2.766 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060387 426395132 /nfs/dbraw/zinc/39/51/32/426395132.db2.gz IAAMFZQCXHOPBF-OAHLLOKOSA-N 1 2 315.417 2.565 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060387 426395135 /nfs/dbraw/zinc/39/51/35/426395135.db2.gz IAAMFZQCXHOPBF-OAHLLOKOSA-N 1 2 315.417 2.565 40 0 DFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1 ZINC000095533657 426373182 /nfs/dbraw/zinc/37/31/82/426373182.db2.gz FGEMBNQBGIUGSV-HNNXBMFYSA-N 1 2 310.357 2.537 40 0 DFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533657 426373187 /nfs/dbraw/zinc/37/31/87/426373187.db2.gz FGEMBNQBGIUGSV-HNNXBMFYSA-N 1 2 310.357 2.537 40 0 DFABLO CCCCC(=O)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221372 426409584 /nfs/dbraw/zinc/40/95/84/426409584.db2.gz UMXODYHIFVAIQH-HNNXBMFYSA-N 1 2 317.433 2.834 40 0 DFABLO CN(Cc1cn(C)nc1C1CCCCC1)Cc1[nH+]ccn1C ZINC000195563216 426539444 /nfs/dbraw/zinc/53/94/44/426539444.db2.gz NSWDOMRJYUCRQW-UHFFFAOYSA-N 1 2 301.438 2.833 40 0 DFABLO COc1ccc(OC[C@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225269094 426597221 /nfs/dbraw/zinc/59/72/21/426597221.db2.gz JXYJJJXLLWRKQX-LBPRGKRZSA-N 1 2 317.414 2.844 40 0 DFABLO c1cc2n(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000247925185 426964282 /nfs/dbraw/zinc/96/42/82/426964282.db2.gz ARUXWTJYKNBXOV-INIZCTEOSA-N 1 2 303.431 2.928 40 0 DFABLO c1cc2n(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000247925185 426964289 /nfs/dbraw/zinc/96/42/89/426964289.db2.gz ARUXWTJYKNBXOV-INIZCTEOSA-N 1 2 303.431 2.928 40 0 DFABLO CNc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328965267 427019568 /nfs/dbraw/zinc/01/95/68/427019568.db2.gz CCELMAYESPHRCL-UHFFFAOYSA-N 1 2 319.206 2.746 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2CCCOc2ccccc2F)[nH+]1 ZINC000257218703 427314065 /nfs/dbraw/zinc/31/40/65/427314065.db2.gz DEEIULXFLCJOAS-OAHLLOKOSA-N 1 2 319.380 2.700 40 0 DFABLO COc1ccc([C@H]2CN(Cc3nccs3)CC[N@@H+]2C)cc1 ZINC000257230696 427317642 /nfs/dbraw/zinc/31/76/42/427317642.db2.gz GDLXZCBRMPEOBP-OAHLLOKOSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccc([C@H]2CN(Cc3nccs3)CC[N@H+]2C)cc1 ZINC000257230696 427317649 /nfs/dbraw/zinc/31/76/49/427317649.db2.gz GDLXZCBRMPEOBP-OAHLLOKOSA-N 1 2 303.431 2.640 40 0 DFABLO Cc1nc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc[nH+]1 ZINC000257242448 427321734 /nfs/dbraw/zinc/32/17/34/427321734.db2.gz ICNRNUFRRSUEPF-IBGZPJMESA-N 1 2 324.428 2.708 40 0 DFABLO c1nn(C2CCCC2)cc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC000257256323 427323146 /nfs/dbraw/zinc/32/31/46/427323146.db2.gz KKZHYVFPZSULFN-SFHVURJKSA-N 1 2 312.417 2.967 40 0 DFABLO c1nn(C2CCCC2)cc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC000257256323 427323152 /nfs/dbraw/zinc/32/31/52/427323152.db2.gz KKZHYVFPZSULFN-SFHVURJKSA-N 1 2 312.417 2.967 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2noc3c2CCCC3)[nH+]1 ZINC000257251999 427323847 /nfs/dbraw/zinc/32/38/47/427323847.db2.gz JTEHYBNOVMYJLF-GFCCVEGCSA-N 1 2 300.362 2.562 40 0 DFABLO CCCCc1[nH]c(CN2CCC[C@@H]2c2cncc(NC)n2)c[nH+]1 ZINC000257257574 427325444 /nfs/dbraw/zinc/32/54/44/427325444.db2.gz KQFIFMLYJAJSJU-OAHLLOKOSA-N 1 2 314.437 2.921 40 0 DFABLO CCCCc1[nH]cc(CN2CCC[C@@H]2c2cncc(NC)n2)[nH+]1 ZINC000257257574 427325448 /nfs/dbraw/zinc/32/54/48/427325448.db2.gz KQFIFMLYJAJSJU-OAHLLOKOSA-N 1 2 314.437 2.921 40 0 DFABLO O=C(Cc1cccnc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257256831 427326094 /nfs/dbraw/zinc/32/60/94/427326094.db2.gz KNBHABYPFDIEIJ-KRWDZBQOSA-N 1 2 318.380 2.604 40 0 DFABLO CNC(=O)c1cnc([C@@H]2CCCCN2c2cccc[nH+]2)s1 ZINC000257337133 427330347 /nfs/dbraw/zinc/33/03/47/427330347.db2.gz YRNNSDLXEBBHCA-NSHDSACASA-N 1 2 302.403 2.629 40 0 DFABLO CN(C(=O)Cc1ccsc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257324741 427331166 /nfs/dbraw/zinc/33/11/66/427331166.db2.gz WPYRHIVNHOXUNB-OAHLLOKOSA-N 1 2 315.442 2.813 40 0 DFABLO COc1ccccc1[C@@H]1CN(Cc2nccs2)CC[N@@H+]1C ZINC000257271596 427331312 /nfs/dbraw/zinc/33/13/12/427331312.db2.gz MYZBESMBCKSHRU-AWEZNQCLSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccccc1[C@@H]1CN(Cc2nccs2)CC[N@H+]1C ZINC000257271596 427331319 /nfs/dbraw/zinc/33/13/19/427331319.db2.gz MYZBESMBCKSHRU-AWEZNQCLSA-N 1 2 303.431 2.640 40 0 DFABLO O=C(Cc1ccccn1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257286841 427331949 /nfs/dbraw/zinc/33/19/49/427331949.db2.gz PNHMRWZKLKUHLX-UHFFFAOYSA-N 1 2 320.396 2.678 40 0 DFABLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2 ZINC000192777930 427608656 /nfs/dbraw/zinc/60/86/56/427608656.db2.gz SKLGJXRGPISLJN-LBPRGKRZSA-N 1 2 300.406 2.865 40 0 DFABLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079001659 185144802 /nfs/dbraw/zinc/14/48/02/185144802.db2.gz VTZPNLLKESNWSF-CABCVRRESA-N 1 2 315.417 2.757 40 0 DFABLO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024787 185146992 /nfs/dbraw/zinc/14/69/92/185146992.db2.gz DQWJHNYXIHXGIF-OALUTQOASA-N 1 2 324.424 2.889 40 0 DFABLO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024787 185146993 /nfs/dbraw/zinc/14/69/93/185146993.db2.gz DQWJHNYXIHXGIF-OALUTQOASA-N 1 2 324.424 2.889 40 0 DFABLO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000079091074 185156599 /nfs/dbraw/zinc/15/65/99/185156599.db2.gz GEIRZBXIXWDBGQ-CYBMUJFWSA-N 1 2 310.825 2.945 40 0 DFABLO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000079091074 185156601 /nfs/dbraw/zinc/15/66/01/185156601.db2.gz GEIRZBXIXWDBGQ-CYBMUJFWSA-N 1 2 310.825 2.945 40 0 DFABLO O=C(C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)NC1CC1 ZINC000079111152 185159149 /nfs/dbraw/zinc/15/91/49/185159149.db2.gz GBXSSNSOFLQUTO-QGZVFWFLSA-N 1 2 315.804 2.693 40 0 DFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)o1 ZINC000585102855 398432023 /nfs/dbraw/zinc/43/20/23/398432023.db2.gz KVIYAGHNDVJQQB-MRXNPFEDSA-N 1 2 305.418 2.996 40 0 DFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)o1 ZINC000585102854 398432573 /nfs/dbraw/zinc/43/25/73/398432573.db2.gz KVIYAGHNDVJQQB-INIZCTEOSA-N 1 2 305.418 2.996 40 0 DFABLO c1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)cs1 ZINC000585103910 398432631 /nfs/dbraw/zinc/43/26/31/398432631.db2.gz DPMOUMOXALSSKT-HNNXBMFYSA-N 1 2 316.426 2.956 40 0 DFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)o1 ZINC000585104290 398433001 /nfs/dbraw/zinc/43/30/01/398433001.db2.gz GRQVLFMJGNEJPE-OAHLLOKOSA-N 1 2 314.385 2.795 40 0 DFABLO CN(C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1CC1 ZINC000083751944 192382121 /nfs/dbraw/zinc/38/21/21/192382121.db2.gz DUOZMCVZEXGDKH-UHFFFAOYSA-N 1 2 312.417 2.820 40 0 DFABLO COc1ncccc1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000083865634 192387928 /nfs/dbraw/zinc/38/79/28/192387928.db2.gz ZVTUXBWJCAGQSQ-UHFFFAOYSA-N 1 2 322.412 2.967 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072382651 191142645 /nfs/dbraw/zinc/14/26/45/191142645.db2.gz DIAJSSXMSCPFEY-LLVKDONJSA-N 1 2 304.423 2.578 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000072382651 191142646 /nfs/dbraw/zinc/14/26/46/191142646.db2.gz DIAJSSXMSCPFEY-LLVKDONJSA-N 1 2 304.423 2.578 40 0 DFABLO C[C@@H](SCc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000047081084 398735634 /nfs/dbraw/zinc/73/56/34/398735634.db2.gz HDHMFAYOSIONBH-CQSZACIVSA-N 1 2 303.431 2.711 40 0 DFABLO Cc1cc(NC(=O)CCn2cncn2)ccc1Oc1cc[nH+]cc1 ZINC000192590855 200907914 /nfs/dbraw/zinc/90/79/14/200907914.db2.gz NCBKNPBDPDUVDO-UHFFFAOYSA-N 1 2 323.356 2.803 40 0 DFABLO CNc1nc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cn2cccc12 ZINC000257276461 203004532 /nfs/dbraw/zinc/00/45/32/203004532.db2.gz NTVCSMLECKCUNY-CQSZACIVSA-N 1 2 322.416 2.858 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257285316 203012361 /nfs/dbraw/zinc/01/23/61/203012361.db2.gz PGPCAZAHOGMYRL-CYBMUJFWSA-N 1 2 311.451 2.560 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccnc3ccccc23)[nH+]1 ZINC000257291584 203016915 /nfs/dbraw/zinc/01/69/15/203016915.db2.gz QHQAORSEDOBFSU-KRWDZBQOSA-N 1 2 308.385 2.840 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257294150 203019392 /nfs/dbraw/zinc/01/93/92/203019392.db2.gz QSTSJPXGGGQECX-LBPRGKRZSA-N 1 2 312.402 2.660 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257294150 203019396 /nfs/dbraw/zinc/01/93/96/203019396.db2.gz QSTSJPXGGGQECX-LBPRGKRZSA-N 1 2 312.402 2.660 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc[nH+]1 ZINC000257311063 203036936 /nfs/dbraw/zinc/03/69/36/203036936.db2.gz UHUICADLAHTYLQ-INIZCTEOSA-N 1 2 321.384 2.977 40 0 DFABLO CC1(c2ncc(Cl)s2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000257317851 203044088 /nfs/dbraw/zinc/04/40/88/203044088.db2.gz VLLOXIUECFOASM-UHFFFAOYSA-N 1 2 324.837 2.573 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257323165 203048274 /nfs/dbraw/zinc/04/82/74/203048274.db2.gz WIZJQNGVLXGYDN-MRXNPFEDSA-N 1 2 313.401 2.806 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257323165 203048276 /nfs/dbraw/zinc/04/82/76/203048276.db2.gz WIZJQNGVLXGYDN-MRXNPFEDSA-N 1 2 313.401 2.806 40 0 DFABLO CCCO[C@@H]1CCCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C1 ZINC000257340870 203063421 /nfs/dbraw/zinc/06/34/21/203063421.db2.gz ZHVQLNJLVCVLDZ-OAHLLOKOSA-N 1 2 315.417 2.603 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257344936 203067117 /nfs/dbraw/zinc/06/71/17/203067117.db2.gz ZZHWCBLOVOLTPJ-LBPRGKRZSA-N 1 2 314.389 2.605 40 0 DFABLO COc1ccc(C(C)=O)c(OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000195563392 399186581 /nfs/dbraw/zinc/18/65/81/399186581.db2.gz JFVUKVJACVLWLA-UHFFFAOYSA-N 1 2 300.358 2.938 40 0 DFABLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccs1 ZINC000195576397 399188089 /nfs/dbraw/zinc/18/80/89/399188089.db2.gz YRXSNPGSHINJFQ-JTQLQIEISA-N 1 2 300.343 2.642 40 0 DFABLO O=C(CCC1CCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020534607 182227489 /nfs/dbraw/zinc/22/74/89/182227489.db2.gz FIIGPNRADMTTHB-UHFFFAOYSA-N 1 2 301.434 2.696 40 0 DFABLO Cc1cc([C@@H]2CCC[N@H+](Cc3nnc(C4CCC4)o3)C2)[nH]n1 ZINC000084111432 542505761 /nfs/dbraw/zinc/50/57/61/542505761.db2.gz PFORYUJUJUKZMP-CYBMUJFWSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@@H]2CCC[N@@H+](Cc3nnc(C4CCC4)o3)C2)[nH]n1 ZINC000084111432 542505763 /nfs/dbraw/zinc/50/57/63/542505763.db2.gz PFORYUJUJUKZMP-CYBMUJFWSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@@H]2CCC[N@H+](Cc3nnc(C4CCC4)o3)C2)n[nH]1 ZINC000084111432 542505767 /nfs/dbraw/zinc/50/57/67/542505767.db2.gz PFORYUJUJUKZMP-CYBMUJFWSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@@H]2CCC[N@@H+](Cc3nnc(C4CCC4)o3)C2)n[nH]1 ZINC000084111432 542505770 /nfs/dbraw/zinc/50/57/70/542505770.db2.gz PFORYUJUJUKZMP-CYBMUJFWSA-N 1 2 301.394 2.748 40 0 DFABLO Cn1c2c([nH+]c1C1CC1)CN(c1ncnc3ccsc31)CC2 ZINC000084310963 542507606 /nfs/dbraw/zinc/50/76/06/542507606.db2.gz CDYSSOARLIVXTN-UHFFFAOYSA-N 1 2 311.414 2.865 40 0 DFABLO CNc1cc(C)c(C(=O)CCCNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072219024 257124189 /nfs/dbraw/zinc/12/41/89/257124189.db2.gz LJRJNJSJRZAAIG-UHFFFAOYSA-N 1 2 307.394 2.919 40 0 DFABLO Cc1cc([C@H](C)O)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222612 257124489 /nfs/dbraw/zinc/12/44/89/257124489.db2.gz AXESCURMAAKFLZ-ZDUSSCGKSA-N 1 2 321.421 2.500 40 0 DFABLO CNc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328988306 257231146 /nfs/dbraw/zinc/23/11/46/257231146.db2.gz IFXBYGGZFRDKOZ-UHFFFAOYSA-N 1 2 308.360 2.780 40 0 DFABLO Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc[nH+]1 ZINC000079001805 291962371 /nfs/dbraw/zinc/96/23/71/291962371.db2.gz YOWIRVMUXUISKI-HOTGVXAUSA-N 1 2 315.417 2.757 40 0 DFABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000130804665 196111608 /nfs/dbraw/zinc/11/16/08/196111608.db2.gz BOAUSWSEWHFWEG-CQSZACIVSA-N 1 2 323.387 2.992 40 0 DFABLO Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068371380 425917617 /nfs/dbraw/zinc/91/76/17/425917617.db2.gz HRRHLRFZLZBEDA-UHFFFAOYSA-N 1 2 324.424 2.757 40 0 DFABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCCCCC1 ZINC000068367256 425917701 /nfs/dbraw/zinc/91/77/01/425917701.db2.gz SKBGAMXVOFPZQO-UHFFFAOYSA-N 1 2 302.418 2.535 40 0 DFABLO Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)n2nnnc2n1 ZINC000000199126 425544517 /nfs/dbraw/zinc/54/45/17/425544517.db2.gz LHSJFWPFZJCPRM-UHFFFAOYSA-N 1 2 309.377 2.562 40 0 DFABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(F)ccc1F ZINC000130216385 426151317 /nfs/dbraw/zinc/15/13/17/426151317.db2.gz FIAPAHSWKUELNC-CYBMUJFWSA-N 1 2 317.339 2.759 40 0 DFABLO O=C(N[C@H]1CCc2ccccc2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000078748012 426183260 /nfs/dbraw/zinc/18/32/60/426183260.db2.gz RGOADHAWDVBZTR-KRWDZBQOSA-N 1 2 324.428 2.787 40 0 DFABLO CCn1ccnc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000083843620 426230528 /nfs/dbraw/zinc/23/05/28/426230528.db2.gz PQUSITZUUPGXOH-ZDUSSCGKSA-N 1 2 301.394 2.543 40 0 DFABLO CCn1ccnc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000083843620 426230531 /nfs/dbraw/zinc/23/05/31/426230531.db2.gz PQUSITZUUPGXOH-ZDUSSCGKSA-N 1 2 301.394 2.543 40 0 DFABLO CN(C)c1[nH+]cccc1NC(=O)CCSc1ccccn1 ZINC000087154583 426267075 /nfs/dbraw/zinc/26/70/75/426267075.db2.gz GYEHHQQQQXPTRM-UHFFFAOYSA-N 1 2 302.403 2.664 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060383 426395499 /nfs/dbraw/zinc/39/54/99/426395499.db2.gz JTTYZXSNCGUMKI-CYBMUJFWSA-N 1 2 305.447 2.926 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060383 426395502 /nfs/dbraw/zinc/39/55/02/426395502.db2.gz JTTYZXSNCGUMKI-CYBMUJFWSA-N 1 2 305.447 2.926 40 0 DFABLO O=C(c1cccnc1)N1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096158150 426402580 /nfs/dbraw/zinc/40/25/80/426402580.db2.gz WQGMXJBSPDVBNH-LJQANCHMSA-N 1 2 322.412 2.609 40 0 DFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096185968 426404547 /nfs/dbraw/zinc/40/45/47/426404547.db2.gz ZKLGADGHZQLUGF-KURKYZTESA-N 1 2 316.401 2.736 40 0 DFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096185968 426404550 /nfs/dbraw/zinc/40/45/50/426404550.db2.gz ZKLGADGHZQLUGF-KURKYZTESA-N 1 2 316.401 2.736 40 0 DFABLO c1coc(CN2Cc3[nH+]ccn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096187942 426404706 /nfs/dbraw/zinc/40/47/06/426404706.db2.gz DGAFXMZGKZBECO-HNNXBMFYSA-N 1 2 324.384 2.582 40 0 DFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc(C)o1 ZINC000096197856 426406177 /nfs/dbraw/zinc/40/61/77/426406177.db2.gz NEJDVQTZWAHEGY-QGZVFWFLSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096197856 426406179 /nfs/dbraw/zinc/40/61/79/426406179.db2.gz NEJDVQTZWAHEGY-QGZVFWFLSA-N 1 2 315.417 2.940 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2c(C)noc2C)Cc2cn(CC)nc21 ZINC000096198083 426406536 /nfs/dbraw/zinc/40/65/36/426406536.db2.gz KMCZJGDSROVHPF-HNNXBMFYSA-N 1 2 318.421 2.644 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2c(C)noc2C)Cc2cn(CC)nc21 ZINC000096198083 426406538 /nfs/dbraw/zinc/40/65/38/426406538.db2.gz KMCZJGDSROVHPF-HNNXBMFYSA-N 1 2 318.421 2.644 40 0 DFABLO COC[C@@H]1CN(Cc2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045050 426391613 /nfs/dbraw/zinc/39/16/13/426391613.db2.gz LFAIDYBXGOAKMM-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2ncn(CC3CC3)c21 ZINC000096045050 426391616 /nfs/dbraw/zinc/39/16/16/426391616.db2.gz LFAIDYBXGOAKMM-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(CC3CC3)c21 ZINC000096045050 426391617 /nfs/dbraw/zinc/39/16/17/426391617.db2.gz LFAIDYBXGOAKMM-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO O=C(CC1CC1)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198983 426406598 /nfs/dbraw/zinc/40/65/98/426406598.db2.gz NRWNYRZWPUSOAS-UHFFFAOYSA-N 1 2 322.412 2.626 40 0 DFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC1CC1)CCO2 ZINC000248149527 426984636 /nfs/dbraw/zinc/98/46/36/426984636.db2.gz VDXZBHIMKHANHR-QGZVFWFLSA-N 1 2 317.429 2.855 40 0 DFABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000328992589 427020771 /nfs/dbraw/zinc/02/07/71/427020771.db2.gz IXHXBCLNDCTBAX-UHFFFAOYSA-N 1 2 311.433 2.947 40 0 DFABLO CCNc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329061852 427037749 /nfs/dbraw/zinc/03/77/49/427037749.db2.gz WVCOMRPOCCXONV-UHFFFAOYSA-N 1 2 306.369 2.868 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)[nH+]1 ZINC000257207137 427309459 /nfs/dbraw/zinc/30/94/59/427309459.db2.gz BGMGDPJERNOFMO-AWEZNQCLSA-N 1 2 306.369 2.896 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)[nH+]1 ZINC000257210583 427309646 /nfs/dbraw/zinc/30/96/46/427309646.db2.gz BVGKEXGOSCDIJA-HNNXBMFYSA-N 1 2 309.369 2.858 40 0 DFABLO CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257214777 427313638 /nfs/dbraw/zinc/31/36/38/427313638.db2.gz CNKGRIARUVKDAH-GFCCVEGCSA-N 1 2 317.418 2.515 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)[nH+]1 ZINC000257215885 427314308 /nfs/dbraw/zinc/31/43/08/427314308.db2.gz CSBCFYQIRLSAMO-GFCCVEGCSA-N 1 2 301.394 2.716 40 0 DFABLO Cc1cnc(Nc2nccc([C@@H]3CCCC[N@@H+]3CCO)n2)s1 ZINC000257226420 427316337 /nfs/dbraw/zinc/31/63/37/427316337.db2.gz FKOHVHFDCCDJRU-ZDUSSCGKSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1cnc(Nc2nccc([C@@H]3CCCC[N@H+]3CCO)n2)s1 ZINC000257226420 427316343 /nfs/dbraw/zinc/31/63/43/427316343.db2.gz FKOHVHFDCCDJRU-ZDUSSCGKSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257223085 427318257 /nfs/dbraw/zinc/31/82/57/427318257.db2.gz DVUUETCWQDWRNX-CYBMUJFWSA-N 1 2 309.373 2.533 40 0 DFABLO c1cc([C@H]2CCCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n[nH]1 ZINC000257225101 427318317 /nfs/dbraw/zinc/31/83/17/427318317.db2.gz FEUPTMCLRPASJE-MRXNPFEDSA-N 1 2 312.421 2.527 40 0 DFABLO c1cc([C@H]2CCCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n[nH]1 ZINC000257225101 427318323 /nfs/dbraw/zinc/31/83/23/427318323.db2.gz FEUPTMCLRPASJE-MRXNPFEDSA-N 1 2 312.421 2.527 40 0 DFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ncccc2F)nc(C)n1 ZINC000257236436 427322208 /nfs/dbraw/zinc/32/22/08/427322208.db2.gz HCESLXUGNYFJFJ-HNNXBMFYSA-N 1 2 301.369 2.698 40 0 DFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ncccc2F)nc(C)n1 ZINC000257236436 427322215 /nfs/dbraw/zinc/32/22/15/427322215.db2.gz HCESLXUGNYFJFJ-HNNXBMFYSA-N 1 2 301.369 2.698 40 0 DFABLO C[C@]1(O)C[N@H+](Cc2cscn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257263203 427327387 /nfs/dbraw/zinc/32/73/87/427327387.db2.gz LOWIKJBYBUGFTM-HOTGVXAUSA-N 1 2 322.405 2.687 40 0 DFABLO C[C@]1(O)C[N@@H+](Cc2cscn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257263203 427327394 /nfs/dbraw/zinc/32/73/94/427327394.db2.gz LOWIKJBYBUGFTM-HOTGVXAUSA-N 1 2 322.405 2.687 40 0 DFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257259602 427328898 /nfs/dbraw/zinc/32/88/98/427328898.db2.gz KZBQKTVKHYHJLJ-OAHLLOKOSA-N 1 2 321.388 2.615 40 0 DFABLO FC(F)(F)Oc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193735222 427709113 /nfs/dbraw/zinc/70/91/13/427709113.db2.gz JDZNCFKUZUJLLU-AWEZNQCLSA-N 1 2 317.307 2.577 40 0 DFABLO FC(F)(F)Oc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000193735222 427709117 /nfs/dbraw/zinc/70/91/17/427709117.db2.gz JDZNCFKUZUJLLU-AWEZNQCLSA-N 1 2 317.307 2.577 40 0 DFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cscn2)nc1 ZINC000257230797 277038013 /nfs/dbraw/zinc/03/80/13/277038013.db2.gz GDYNOEGICPFDJF-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cscn2)nc1 ZINC000257230797 277038014 /nfs/dbraw/zinc/03/80/14/277038014.db2.gz GDYNOEGICPFDJF-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CN1CCN(C(=O)c2ccc3[nH+]ccn3c2)c2cc(F)ccc21 ZINC000081073797 277098999 /nfs/dbraw/zinc/09/89/99/277098999.db2.gz KCHHFZQIALDJST-UHFFFAOYSA-N 1 2 310.332 2.570 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306136267 280352445 /nfs/dbraw/zinc/35/24/45/280352445.db2.gz POJQZIQUVIWQTO-DZGCQCFKSA-N 1 2 305.424 2.503 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306136267 280352447 /nfs/dbraw/zinc/35/24/47/280352447.db2.gz POJQZIQUVIWQTO-DZGCQCFKSA-N 1 2 305.424 2.503 40 0 DFABLO Ic1ccccc1C[NH+]1CCSCC1 ZINC000095728213 185383488 /nfs/dbraw/zinc/38/34/88/185383488.db2.gz IGYNNFFBWKJIIR-UHFFFAOYSA-N 1 2 319.211 2.840 40 0 DFABLO COc1cc(CN(C)Cc2[nH+]ccn2C)c(SC)cc1OC ZINC000078869908 185121033 /nfs/dbraw/zinc/12/10/33/185121033.db2.gz KEWIQGRFUPPJID-UHFFFAOYSA-N 1 2 321.446 2.791 40 0 DFABLO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000079091068 185156315 /nfs/dbraw/zinc/15/63/15/185156315.db2.gz GEIRZBXIXWDBGQ-ZDUSSCGKSA-N 1 2 310.825 2.945 40 0 DFABLO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000079091068 185156317 /nfs/dbraw/zinc/15/63/17/185156317.db2.gz GEIRZBXIXWDBGQ-ZDUSSCGKSA-N 1 2 310.825 2.945 40 0 DFABLO O=C(C1CC1)N1CCC2(Cc3[nH+]cc(-c4cccnc4)n3C2)CC1 ZINC000306138428 231090058 /nfs/dbraw/zinc/09/00/58/231090058.db2.gz RXHGSSZQCXEBCC-UHFFFAOYSA-N 1 2 322.412 2.520 40 0 DFABLO Cn1cccc1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083006672 185210949 /nfs/dbraw/zinc/21/09/49/185210949.db2.gz GQBIGGPQDQMURM-UHFFFAOYSA-N 1 2 322.412 2.784 40 0 DFABLO CCOC(=O)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000082048832 192352859 /nfs/dbraw/zinc/35/28/59/192352859.db2.gz NNMRROUVHBDIKU-UHFFFAOYSA-N 1 2 311.381 2.821 40 0 DFABLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000082120371 192357326 /nfs/dbraw/zinc/35/73/26/192357326.db2.gz JPKJHVMXADRKOD-ZDUSSCGKSA-N 1 2 319.355 2.647 40 0 DFABLO Cc1ccc(-n2cc(C[N@@H+]3CCCN4C(=O)CC[C@@]43C)cn2)cc1 ZINC000019659071 398407817 /nfs/dbraw/zinc/40/78/17/398407817.db2.gz WKJWFVKKKFLCFL-LJQANCHMSA-N 1 2 324.428 2.725 40 0 DFABLO Cc1ccc(-n2cc(C[N@H+]3CCCN4C(=O)CC[C@@]43C)cn2)cc1 ZINC000019659071 398407819 /nfs/dbraw/zinc/40/78/19/398407819.db2.gz WKJWFVKKKFLCFL-LJQANCHMSA-N 1 2 324.428 2.725 40 0 DFABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ccccn2)co1 ZINC000585102652 398432399 /nfs/dbraw/zinc/43/23/99/398432399.db2.gz DYQNRWHSXVKVQM-INIZCTEOSA-N 1 2 314.385 2.735 40 0 DFABLO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585274848 398438756 /nfs/dbraw/zinc/43/87/56/398438756.db2.gz PJJIEXOAYOSOLE-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585274848 398438757 /nfs/dbraw/zinc/43/87/57/398438757.db2.gz PJJIEXOAYOSOLE-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO CC(C)C[N@@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112791 398433018 /nfs/dbraw/zinc/43/30/18/398433018.db2.gz VLKVSNQRSOVGBX-UHFFFAOYSA-N 1 2 305.422 2.559 40 0 DFABLO CC(C)C[N@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112791 398433023 /nfs/dbraw/zinc/43/30/23/398433023.db2.gz VLKVSNQRSOVGBX-UHFFFAOYSA-N 1 2 305.422 2.559 40 0 DFABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585112043 398433301 /nfs/dbraw/zinc/43/33/01/398433301.db2.gz KKBWJCQGCLMYFD-STQMWFEESA-N 1 2 305.422 2.559 40 0 DFABLO CC(C)[N@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585112043 398433304 /nfs/dbraw/zinc/43/33/04/398433304.db2.gz KKBWJCQGCLMYFD-STQMWFEESA-N 1 2 305.422 2.559 40 0 DFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)c1 ZINC000585104398 398433469 /nfs/dbraw/zinc/43/34/69/398433469.db2.gz HXFVIOOUIDBFQF-AWEZNQCLSA-N 1 2 316.426 2.956 40 0 DFABLO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585273347 398436990 /nfs/dbraw/zinc/43/69/90/398436990.db2.gz CETLMUSHPYBJBQ-SFHVURJKSA-N 1 2 315.417 2.696 40 0 DFABLO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585273347 398436993 /nfs/dbraw/zinc/43/69/93/398436993.db2.gz CETLMUSHPYBJBQ-SFHVURJKSA-N 1 2 315.417 2.696 40 0 DFABLO Cc1cc(N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3)n2)ncn1 ZINC000072355594 191130308 /nfs/dbraw/zinc/13/03/08/191130308.db2.gz XYHBJECEKKXJCQ-OAHLLOKOSA-N 1 2 306.373 2.707 40 0 DFABLO CC(=O)Nc1nc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)cs1 ZINC000072369043 191138675 /nfs/dbraw/zinc/13/86/75/191138675.db2.gz ZKDYRQRVELSFAX-LBPRGKRZSA-N 1 2 317.418 2.584 40 0 DFABLO CCn1cc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000080634799 192175205 /nfs/dbraw/zinc/17/52/05/192175205.db2.gz BYQRYPVYTBHQDI-ZDUSSCGKSA-N 1 2 324.388 2.971 40 0 DFABLO FC(F)(F)Oc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193735238 201113097 /nfs/dbraw/zinc/11/30/97/201113097.db2.gz JDZNCFKUZUJLLU-CQSZACIVSA-N 1 2 317.307 2.577 40 0 DFABLO FC(F)(F)Oc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000193735238 201113099 /nfs/dbraw/zinc/11/30/99/201113099.db2.gz JDZNCFKUZUJLLU-CQSZACIVSA-N 1 2 317.307 2.577 40 0 DFABLO O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cscn1 ZINC000078987356 399006016 /nfs/dbraw/zinc/00/60/16/399006016.db2.gz GMXTXVRXEKLEIG-HOTGVXAUSA-N 1 2 324.409 2.998 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257307448 203031875 /nfs/dbraw/zinc/03/18/75/203031875.db2.gz SYRDJHFRJPCGNQ-INIZCTEOSA-N 1 2 322.412 2.649 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257307448 203031880 /nfs/dbraw/zinc/03/18/80/203031880.db2.gz SYRDJHFRJPCGNQ-INIZCTEOSA-N 1 2 322.412 2.649 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257283586 203012402 /nfs/dbraw/zinc/01/24/02/203012402.db2.gz OYXISWNQJQWQMU-ZDUSSCGKSA-N 1 2 317.364 2.642 40 0 DFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2csc(C)n2)nc(C)n1 ZINC000257286651 203014313 /nfs/dbraw/zinc/01/43/13/203014313.db2.gz PMKSALHEOZLENT-AWEZNQCLSA-N 1 2 303.435 2.929 40 0 DFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2csc(C)n2)nc(C)n1 ZINC000257286651 203014314 /nfs/dbraw/zinc/01/43/14/203014314.db2.gz PMKSALHEOZLENT-AWEZNQCLSA-N 1 2 303.435 2.929 40 0 DFABLO CNc1cc([C@@H]2CCCN2Cc2csc(C)n2)[nH+]c(C)n1 ZINC000257286651 203014317 /nfs/dbraw/zinc/01/43/17/203014317.db2.gz PMKSALHEOZLENT-AWEZNQCLSA-N 1 2 303.435 2.929 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257332061 203054931 /nfs/dbraw/zinc/05/49/31/203054931.db2.gz XVOFHWMDZQYKJA-AWEZNQCLSA-N 1 2 309.369 2.510 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257337471 203060587 /nfs/dbraw/zinc/06/05/87/203060587.db2.gz YSWYHDLPYBRHTA-LBPRGKRZSA-N 1 2 304.419 2.811 40 0 DFABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015674735 182012073 /nfs/dbraw/zinc/01/20/73/182012073.db2.gz FVTIYGRIDHYCGZ-HIFRSBDPSA-N 1 2 317.389 2.510 40 0 biogenic,in-vitro DFABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015674735 182012074 /nfs/dbraw/zinc/01/20/74/182012074.db2.gz FVTIYGRIDHYCGZ-HIFRSBDPSA-N 1 2 317.389 2.510 40 0 biogenic,in-vitro DFABLO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020047334 182183980 /nfs/dbraw/zinc/18/39/80/182183980.db2.gz VBUDZHVJFQXJQG-UHFFFAOYSA-N 1 2 307.353 2.811 40 0 DFABLO CC(=O)N1CCN(c2[nH+]cc(SC(C)(C)C)cc2C)CC1 ZINC000072222703 257123829 /nfs/dbraw/zinc/12/38/29/257123829.db2.gz RCMYVCDXQYISQW-UHFFFAOYSA-N 1 2 307.463 2.949 40 0 DFABLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC000067801066 425913140 /nfs/dbraw/zinc/91/31/40/425913140.db2.gz WHDXZERYUGIYGT-UHFFFAOYSA-N 1 2 318.417 2.858 40 0 DFABLO COc1ccccc1[C@H]1CN(C(=O)c2cccs2)CC[N@@H+]1C ZINC000036131880 425845016 /nfs/dbraw/zinc/84/50/16/425845016.db2.gz XYAHAZWRYUFFES-CQSZACIVSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccccc1[C@H]1CN(C(=O)c2cccs2)CC[N@H+]1C ZINC000036131880 425845017 /nfs/dbraw/zinc/84/50/17/425845017.db2.gz XYAHAZWRYUFFES-CQSZACIVSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ncccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000193445530 268068911 /nfs/dbraw/zinc/06/89/11/268068911.db2.gz RNPHVNOFGLCSDY-CZUORRHYSA-N 1 2 320.339 2.676 40 0 DFABLO COc1ncccc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000193445530 268068912 /nfs/dbraw/zinc/06/89/12/268068912.db2.gz RNPHVNOFGLCSDY-CZUORRHYSA-N 1 2 320.339 2.676 40 0 DFABLO COc1ncccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000193445547 268069332 /nfs/dbraw/zinc/06/93/32/268069332.db2.gz RNPHVNOFGLCSDY-XJKSGUPXSA-N 1 2 320.339 2.676 40 0 DFABLO COc1ncccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000193445547 268069335 /nfs/dbraw/zinc/06/93/35/268069335.db2.gz RNPHVNOFGLCSDY-XJKSGUPXSA-N 1 2 320.339 2.676 40 0 DFABLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000084631002 426241662 /nfs/dbraw/zinc/24/16/62/426241662.db2.gz NGNLGCMVYFSMSE-LBPRGKRZSA-N 1 2 314.476 2.747 40 0 DFABLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000084631002 426241666 /nfs/dbraw/zinc/24/16/66/426241666.db2.gz NGNLGCMVYFSMSE-LBPRGKRZSA-N 1 2 314.476 2.747 40 0 DFABLO c1nc2ncnc(NCc3cc[nH+]c(N4CCCCCC4)c3)c2[nH]1 ZINC000084613389 426242089 /nfs/dbraw/zinc/24/20/89/426242089.db2.gz ZUQYUAUISOUQHK-UHFFFAOYSA-N 1 2 323.404 2.740 40 0 DFABLO Cc1ccc(C[N@@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)o1 ZINC000096068187 426394012 /nfs/dbraw/zinc/39/40/12/426394012.db2.gz RCHIWKZGRISBJN-QGZVFWFLSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(C[N@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)o1 ZINC000096068187 426394016 /nfs/dbraw/zinc/39/40/16/426394016.db2.gz RCHIWKZGRISBJN-QGZVFWFLSA-N 1 2 315.417 2.848 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060384 426394406 /nfs/dbraw/zinc/39/44/06/426394406.db2.gz XANRNCSWJYFNTD-AWEZNQCLSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060384 426394408 /nfs/dbraw/zinc/39/44/08/426394408.db2.gz XANRNCSWJYFNTD-AWEZNQCLSA-N 1 2 303.381 2.695 40 0 DFABLO c1csc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096058038 426395378 /nfs/dbraw/zinc/39/53/78/426395378.db2.gz ANKBDUZTBPTTLE-ZMSDIMECSA-N 1 2 316.426 2.954 40 0 DFABLO c1csc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC000096058038 426395381 /nfs/dbraw/zinc/39/53/81/426395381.db2.gz ANKBDUZTBPTTLE-ZMSDIMECSA-N 1 2 316.426 2.954 40 0 DFABLO c1coc(C[N@H+]2Cc3ccnn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096067280 426395385 /nfs/dbraw/zinc/39/53/85/426395385.db2.gz DQMXATVCAHOSKF-HNNXBMFYSA-N 1 2 324.384 2.582 40 0 DFABLO c1coc(C[N@@H+]2Cc3ccnn3C[C@@H](COc3cccnc3)C2)c1 ZINC000096067280 426395387 /nfs/dbraw/zinc/39/53/87/426395387.db2.gz DQMXATVCAHOSKF-HNNXBMFYSA-N 1 2 324.384 2.582 40 0 DFABLO COCc1cnc2n1CC[N@@H+](Cc1ccccc1OC)[C@@H]2C ZINC000096109578 426399476 /nfs/dbraw/zinc/39/94/76/426399476.db2.gz KPUVZQBSOIYCIK-CYBMUJFWSA-N 1 2 301.390 2.615 40 0 DFABLO COCc1cnc2n1CC[N@H+](Cc1ccccc1OC)[C@@H]2C ZINC000096109578 426399477 /nfs/dbraw/zinc/39/94/77/426399477.db2.gz KPUVZQBSOIYCIK-CYBMUJFWSA-N 1 2 301.390 2.615 40 0 DFABLO COCc1cncc2c1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096189274 426405341 /nfs/dbraw/zinc/40/53/41/426405341.db2.gz NYMDDRMMMJVKEH-UHFFFAOYSA-N 1 2 312.369 2.515 40 0 DFABLO COCc1cncc2c1CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096189274 426405345 /nfs/dbraw/zinc/40/53/45/426405345.db2.gz NYMDDRMMMJVKEH-UHFFFAOYSA-N 1 2 312.369 2.515 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1ccoc1)CC2 ZINC000096197764 426406110 /nfs/dbraw/zinc/40/61/10/426406110.db2.gz JHQXTMASELBYFP-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1ccoc1)CC2 ZINC000096197764 426406113 /nfs/dbraw/zinc/40/61/13/426406113.db2.gz JHQXTMASELBYFP-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)co1 ZINC000096041711 426391441 /nfs/dbraw/zinc/39/14/41/426391441.db2.gz PJINYCBRERJVHR-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)co1 ZINC000096041711 426391443 /nfs/dbraw/zinc/39/14/43/426391443.db2.gz PJINYCBRERJVHR-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO CCCCC(=O)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221376 426409835 /nfs/dbraw/zinc/40/98/35/426409835.db2.gz UMXODYHIFVAIQH-OAHLLOKOSA-N 1 2 317.433 2.834 40 0 DFABLO c1coc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000096250554 426411364 /nfs/dbraw/zinc/41/13/64/426411364.db2.gz CZJZKUGXZYIEOE-BHYGNILZSA-N 1 2 314.385 2.733 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000096250554 426411368 /nfs/dbraw/zinc/41/13/68/426411368.db2.gz CZJZKUGXZYIEOE-BHYGNILZSA-N 1 2 314.385 2.733 40 0 DFABLO Cn1cc(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cn1 ZINC000195460604 426528153 /nfs/dbraw/zinc/52/81/53/426528153.db2.gz DMXGPOISXVAZMW-UHFFFAOYSA-N 1 2 311.389 2.775 40 0 DFABLO COc1cccc2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)cc[nH+]c12 ZINC000195571636 426539728 /nfs/dbraw/zinc/53/97/28/426539728.db2.gz YGXPAWIWSNVOCJ-DOTOQJQBSA-N 1 2 314.385 2.628 40 0 DFABLO CCNC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000195575647 426540357 /nfs/dbraw/zinc/54/03/57/426540357.db2.gz XAXPGMQYXFEYKH-UHFFFAOYSA-N 1 2 321.384 2.629 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306141121 426914280 /nfs/dbraw/zinc/91/42/80/426914280.db2.gz VLSWPVMNBIPRDR-NVXWUHKLSA-N 1 2 317.385 2.581 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306141121 426914285 /nfs/dbraw/zinc/91/42/85/426914285.db2.gz VLSWPVMNBIPRDR-NVXWUHKLSA-N 1 2 317.385 2.581 40 0 DFABLO c1cc2n(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccsc1)C2 ZINC000247925188 426964438 /nfs/dbraw/zinc/96/44/38/426964438.db2.gz ARUXWTJYKNBXOV-MRXNPFEDSA-N 1 2 303.431 2.928 40 0 DFABLO c1cc2n(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000247925188 426964444 /nfs/dbraw/zinc/96/44/44/426964444.db2.gz ARUXWTJYKNBXOV-MRXNPFEDSA-N 1 2 303.431 2.928 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@H](COc3ccccn3)C2)co1 ZINC000247960859 426968296 /nfs/dbraw/zinc/96/82/96/426968296.db2.gz OGNHKIUBPRPPHF-INIZCTEOSA-N 1 2 310.357 2.507 40 0 DFABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000329046003 427030361 /nfs/dbraw/zinc/03/03/61/427030361.db2.gz TYVDMNYQAUSIPR-UHFFFAOYSA-N 1 2 316.792 2.875 40 0 DFABLO CNc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329053395 427034432 /nfs/dbraw/zinc/03/44/32/427034432.db2.gz VGGXVQVWCXGZQM-UHFFFAOYSA-N 1 2 319.206 2.844 40 0 DFABLO CNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329053395 427034436 /nfs/dbraw/zinc/03/44/36/427034436.db2.gz VGGXVQVWCXGZQM-UHFFFAOYSA-N 1 2 319.206 2.844 40 0 DFABLO Cc1cc(N2CCC3(CO[C@@H](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC000257201349 427308857 /nfs/dbraw/zinc/30/88/57/427308857.db2.gz AHHNMSSCGLKYDO-KRWDZBQOSA-N 1 2 324.428 2.798 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257211747 427312394 /nfs/dbraw/zinc/31/23/94/427312394.db2.gz CAGKJTGULCVBRX-LBPRGKRZSA-N 1 2 305.328 2.555 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)nc3c2)[nH+]1 ZINC000257215892 427313377 /nfs/dbraw/zinc/31/33/77/427313377.db2.gz CSBWSTUZZOHQJW-HNNXBMFYSA-N 1 2 309.373 2.880 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cccc4ncccc43)C2)[nH+]1 ZINC000257219290 427313785 /nfs/dbraw/zinc/31/37/85/427313785.db2.gz DGHYSSZDDKQABT-CQSZACIVSA-N 1 2 320.396 2.906 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257222138 427314363 /nfs/dbraw/zinc/31/43/63/427314363.db2.gz DSCGUCGZDGTOMT-OAHLLOKOSA-N 1 2 313.401 2.893 40 0 DFABLO CCOc1ccccc1CN1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257217803 427315029 /nfs/dbraw/zinc/31/50/29/427315029.db2.gz DARAURVNPCDARG-HNNXBMFYSA-N 1 2 301.390 2.690 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2cccnc2)cc[nH+]1 ZINC000257223972 427315794 /nfs/dbraw/zinc/31/57/94/427315794.db2.gz DZSNYUQSWVNSPP-INIZCTEOSA-N 1 2 310.401 2.815 40 0 DFABLO CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257232084 427315836 /nfs/dbraw/zinc/31/58/36/427315836.db2.gz GJINXLOYRDMVGR-QGZVFWFLSA-N 1 2 302.466 2.769 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)no1 ZINC000257230017 427318784 /nfs/dbraw/zinc/31/87/84/427318784.db2.gz GAKCQNVWQYWCBD-AWEZNQCLSA-N 1 2 302.378 2.646 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)[nH+]1 ZINC000257223531 427318879 /nfs/dbraw/zinc/31/88/79/427318879.db2.gz DXUKGTHYTLWPAW-CYBMUJFWSA-N 1 2 317.364 2.642 40 0 DFABLO CN(C(=O)CCc1cccnc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257235545 427321040 /nfs/dbraw/zinc/32/10/40/427321040.db2.gz GYGBUQDRRVEKSX-QGZVFWFLSA-N 1 2 324.428 2.537 40 0 DFABLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)c[nH]1 ZINC000257254135 427324950 /nfs/dbraw/zinc/32/49/50/427324950.db2.gz KBUKBQDNMIVBQP-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO c1nc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)c[nH]1 ZINC000257254135 427324954 /nfs/dbraw/zinc/32/49/54/427324954.db2.gz KBUKBQDNMIVBQP-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO c1ncc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257254135 427324963 /nfs/dbraw/zinc/32/49/63/427324963.db2.gz KBUKBQDNMIVBQP-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO c1ncc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257254135 427324971 /nfs/dbraw/zinc/32/49/71/427324971.db2.gz KBUKBQDNMIVBQP-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CCc2cccnc2)cc[nH+]1 ZINC000257252654 427325490 /nfs/dbraw/zinc/32/54/90/427325490.db2.gz JVPJOYPUBOQPRG-KRWDZBQOSA-N 1 2 324.428 2.839 40 0 DFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257266446 427329590 /nfs/dbraw/zinc/32/95/90/427329590.db2.gz MDATXUAXLZOMLE-ZDUSSCGKSA-N 1 2 321.388 2.615 40 0 DFABLO CNc1cc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc[nH+]1 ZINC000257331228 427330280 /nfs/dbraw/zinc/33/02/80/427330280.db2.gz XRXMAAUGAAKKIW-AWEZNQCLSA-N 1 2 314.389 2.748 40 0 DFABLO COc1ccccc1[C@H]1CN(Cc2nccs2)CC[N@@H+]1C ZINC000257271597 427332607 /nfs/dbraw/zinc/33/26/07/427332607.db2.gz MYZBESMBCKSHRU-CQSZACIVSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccccc1[C@H]1CN(Cc2nccs2)CC[N@H+]1C ZINC000257271597 427332613 /nfs/dbraw/zinc/33/26/13/427332613.db2.gz MYZBESMBCKSHRU-CQSZACIVSA-N 1 2 303.431 2.640 40 0 DFABLO CCOC(=O)[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000192948331 323250188 /nfs/dbraw/zinc/25/01/88/323250188.db2.gz IBDMHUYQIGXKOC-NJZAAPMLSA-N 1 2 311.809 2.959 40 0 DFABLO Cc1cc(N(C[C@H]2CCOC2)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000195565419 323283944 /nfs/dbraw/zinc/28/39/44/323283944.db2.gz IOHHXBFSZMDKPL-CQSZACIVSA-N 1 2 310.401 2.852 40 0 DFABLO Ic1cccc(C[NH+]2CCSCC2)c1 ZINC000095728216 185383479 /nfs/dbraw/zinc/38/34/79/185383479.db2.gz IRWWSBXYHHHRLU-UHFFFAOYSA-N 1 2 319.211 2.840 40 0 DFABLO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024780 185147074 /nfs/dbraw/zinc/14/70/74/185147074.db2.gz DQWJHNYXIHXGIF-RBUKOAKNSA-N 1 2 324.424 2.889 40 0 DFABLO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000079024780 185147075 /nfs/dbraw/zinc/14/70/75/185147075.db2.gz DQWJHNYXIHXGIF-RBUKOAKNSA-N 1 2 324.424 2.889 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)co1 ZINC000306124560 231084490 /nfs/dbraw/zinc/08/44/90/231084490.db2.gz BTOLSDAYMMHSTF-ULQDDVLXSA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)co1 ZINC000306124560 231084492 /nfs/dbraw/zinc/08/44/92/231084492.db2.gz BTOLSDAYMMHSTF-ULQDDVLXSA-N 1 2 314.385 2.733 40 0 DFABLO CO[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274426 398438097 /nfs/dbraw/zinc/43/80/97/398438097.db2.gz KWPXAMXEXBBVCJ-QGZVFWFLSA-N 1 2 319.380 2.527 40 0 DFABLO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274426 398438101 /nfs/dbraw/zinc/43/81/01/398438101.db2.gz KWPXAMXEXBBVCJ-QGZVFWFLSA-N 1 2 319.380 2.527 40 0 DFABLO Cc1cccn2cc(C[S@](=O)Cc3noc(C(C)C)n3)[nH+]c12 ZINC000083953089 192391467 /nfs/dbraw/zinc/39/14/67/192391467.db2.gz JUZLKBDOQYJEOC-JOCHJYFZSA-N 1 2 318.402 2.598 40 0 DFABLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2c(nc(C)[nH]c2=O)C1 ZINC000072347447 191127978 /nfs/dbraw/zinc/12/79/78/191127978.db2.gz YPLFVGADLWYZNT-UHFFFAOYSA-N 1 2 308.385 2.839 40 0 DFABLO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2c(nc(C)[nH]c2=O)C1 ZINC000072347447 191127980 /nfs/dbraw/zinc/12/79/80/191127980.db2.gz YPLFVGADLWYZNT-UHFFFAOYSA-N 1 2 308.385 2.839 40 0 DFABLO CC(=O)N1CCC[C@H](c2cncc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072355400 191129094 /nfs/dbraw/zinc/12/90/94/191129094.db2.gz LHRCYWWGYGVFHQ-AWEZNQCLSA-N 1 2 313.405 2.512 40 0 DFABLO Cc1cc(N2CCC[C@H]2c2ccnc(-c3ccccn3)n2)nc[nH+]1 ZINC000072355855 191130522 /nfs/dbraw/zinc/13/05/22/191130522.db2.gz WMMCPUQJLILNIK-INIZCTEOSA-N 1 2 318.384 2.979 40 0 DFABLO Cc1cc(N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)ncn1 ZINC000072355583 191130761 /nfs/dbraw/zinc/13/07/61/191130761.db2.gz QGNDJODEOZGPRI-HNNXBMFYSA-N 1 2 320.400 2.750 40 0 DFABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3C)nc(C)n2)s1 ZINC000072360124 191130082 /nfs/dbraw/zinc/13/00/82/191130082.db2.gz REBVQFYQFKBTJV-LLVKDONJSA-N 1 2 304.423 2.709 40 0 DFABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000072360124 191130084 /nfs/dbraw/zinc/13/00/84/191130084.db2.gz REBVQFYQFKBTJV-LLVKDONJSA-N 1 2 304.423 2.709 40 0 DFABLO O=C(C1CCC1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378493 191141743 /nfs/dbraw/zinc/14/17/43/191141743.db2.gz GCFDFJIUJYDQTH-HNNXBMFYSA-N 1 2 310.401 2.773 40 0 DFABLO Cc1ccc(CSCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000045162189 398664832 /nfs/dbraw/zinc/66/48/32/398664832.db2.gz HAHJWKBODHJWJI-UHFFFAOYSA-N 1 2 303.431 2.631 40 0 DFABLO Clc1ccccc1Nc1nc2nonc2nc1-n1cc[nH+]c1 ZINC000005531336 181254241 /nfs/dbraw/zinc/25/42/41/181254241.db2.gz ZHQLVGLFULMQLA-UHFFFAOYSA-N 1 2 313.708 2.596 40 0 DFABLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc(C2CC2)ns1 ZINC000080978957 192206998 /nfs/dbraw/zinc/20/69/98/192206998.db2.gz PJFWSSRQDNFTSD-UHFFFAOYSA-N 1 2 317.340 2.811 40 0 DFABLO C[C@@H](C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621886 201264335 /nfs/dbraw/zinc/26/43/35/201264335.db2.gz KHQBSSHMQOSXRL-MAUKXSAKSA-N 1 2 309.413 2.970 40 0 DFABLO CCn1cc[nH+]c1CS(=O)(=O)c1ncc(C(C)C)n1C1CC1 ZINC000079000082 399006759 /nfs/dbraw/zinc/00/67/59/399006759.db2.gz QJARBFWDTBRFII-UHFFFAOYSA-N 1 2 322.434 2.532 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)cc[nH+]1 ZINC000257276098 203003459 /nfs/dbraw/zinc/00/34/59/203003459.db2.gz NSIVRXLVGDSRLE-MOEXGYKKSA-N 1 2 308.385 2.895 40 0 DFABLO CN(C(=O)c1cccs1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257299475 203022278 /nfs/dbraw/zinc/02/22/78/203022278.db2.gz RQFDKGOJMNFPSF-ZDUSSCGKSA-N 1 2 301.415 2.884 40 0 DFABLO Nc1cccc([C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)n1 ZINC000257283487 203009787 /nfs/dbraw/zinc/00/97/87/203009787.db2.gz OYOBHSNWLQNJLP-GOSISDBHSA-N 1 2 320.396 2.786 40 0 DFABLO Nc1cccc([C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)n1 ZINC000257283487 203009790 /nfs/dbraw/zinc/00/97/90/203009790.db2.gz OYOBHSNWLQNJLP-GOSISDBHSA-N 1 2 320.396 2.786 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)COc2cccc(F)c2)[nH+]1 ZINC000257282855 203011236 /nfs/dbraw/zinc/01/12/36/203011236.db2.gz OVOXVPODSBEHGK-AWEZNQCLSA-N 1 2 303.337 2.600 40 0 DFABLO Cn1c(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)nc2ccccc21 ZINC000257321790 203045039 /nfs/dbraw/zinc/04/50/39/203045039.db2.gz WDGDMZKNAPPLIP-AWEZNQCLSA-N 1 2 309.417 2.751 40 0 DFABLO Cn1c(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)nc2ccccc21 ZINC000257321790 203045042 /nfs/dbraw/zinc/04/50/42/203045042.db2.gz WDGDMZKNAPPLIP-AWEZNQCLSA-N 1 2 309.417 2.751 40 0 DFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000257325450 203049361 /nfs/dbraw/zinc/04/93/61/203049361.db2.gz WSYZAKHZPFZFLA-LBPRGKRZSA-N 1 2 323.443 2.711 40 0 DFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257339924 203062293 /nfs/dbraw/zinc/06/22/93/203062293.db2.gz ZDTTZUVRHPWVAP-HNNXBMFYSA-N 1 2 315.421 2.675 40 0 DFABLO C[C@H](C(=O)N[C@H](c1cccs1)c1ccncc1)n1cc[nH+]c1 ZINC000019079776 182104064 /nfs/dbraw/zinc/10/40/64/182104064.db2.gz LUUILBGADXEILX-DOMZBBRYSA-N 1 2 312.398 2.806 40 0 DFABLO Cc1nn(C)cc1-c1c[nH+]cn1[C@H](C)Cc1c(C)nn(C)c1C ZINC000019719427 182137667 /nfs/dbraw/zinc/13/76/67/182137667.db2.gz FZEJFFRGYNRJBB-LLVKDONJSA-N 1 2 312.421 2.746 40 0 DFABLO O=C(COc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020484479 182223221 /nfs/dbraw/zinc/22/32/21/182223221.db2.gz SGWSJHBNTYKWSS-UHFFFAOYSA-N 1 2 307.353 2.568 40 0 DFABLO CC[C@H](Oc1cccc(C)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020460001 182220070 /nfs/dbraw/zinc/22/00/70/182220070.db2.gz QSBCHYHPJMJSOC-INIZCTEOSA-N 1 2 301.390 2.555 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306136270 285074678 /nfs/dbraw/zinc/07/46/78/285074678.db2.gz POJQZIQUVIWQTO-ZFWWWQNUSA-N 1 2 305.424 2.503 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306136270 285074680 /nfs/dbraw/zinc/07/46/80/285074680.db2.gz POJQZIQUVIWQTO-ZFWWWQNUSA-N 1 2 305.424 2.503 40 0 DFABLO Cc1cccc2[nH+]c(CSCC(=O)Nc3ccccn3)cn21 ZINC000083124904 542501476 /nfs/dbraw/zinc/50/14/76/542501476.db2.gz GARCPWHHZISVIM-UHFFFAOYSA-N 1 2 312.398 2.910 40 0 DFABLO Cn1cncc1-c1nccnc1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257218676 256618203 /nfs/dbraw/zinc/61/82/03/256618203.db2.gz DEBNZDIIFWRXBZ-CQSZACIVSA-N 1 2 320.400 2.656 40 0 DFABLO COc1ccc(OCc2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534865 257136314 /nfs/dbraw/zinc/13/63/14/257136314.db2.gz WOYWVNJWNMVJIL-INIZCTEOSA-N 1 2 324.384 2.635 40 0 DFABLO CCOc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1OC ZINC000095534304 257136865 /nfs/dbraw/zinc/13/68/65/257136865.db2.gz XRYMGAWJJDXTJI-ZDUSSCGKSA-N 1 2 304.394 2.558 40 0 DFABLO CCOc1ccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095534304 257136866 /nfs/dbraw/zinc/13/68/66/257136866.db2.gz XRYMGAWJJDXTJI-ZDUSSCGKSA-N 1 2 304.394 2.558 40 0 DFABLO COc1cccc(-c2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)c1 ZINC000095533524 257137517 /nfs/dbraw/zinc/13/75/17/257137517.db2.gz RZOODFLEFLHYFK-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO COc1cccc(-c2nc([C@H]([NH3+])c3cccc(OC)c3)n[nH]2)c1 ZINC000095533524 257137518 /nfs/dbraw/zinc/13/75/18/257137518.db2.gz RZOODFLEFLHYFK-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC(C)C)CC1 ZINC000012116379 425717904 /nfs/dbraw/zinc/71/79/04/425717904.db2.gz WQFLICVJJVIJKE-UHFFFAOYSA-N 1 2 314.433 2.797 40 0 DFABLO CCSc1nc(Nc2ccccc2C(=O)OC)cc(N)[nH+]1 ZINC000049467529 425879222 /nfs/dbraw/zinc/87/92/22/425879222.db2.gz XFGSCCCBAHFHFA-UHFFFAOYSA-N 1 2 304.375 2.701 40 0 DFABLO CCc1ncc(C[N@H+]2C[C@@H]3C(c4cccc(C)c4)=NO[C@@H]3C2)cn1 ZINC000072343233 426015478 /nfs/dbraw/zinc/01/54/78/426015478.db2.gz LVILTHVWZVEEJY-DLBZAZTESA-N 1 2 322.412 2.582 40 0 DFABLO CCc1ncc(C[N@@H+]2C[C@@H]3C(c4cccc(C)c4)=NO[C@@H]3C2)cn1 ZINC000072343233 426015482 /nfs/dbraw/zinc/01/54/82/426015482.db2.gz LVILTHVWZVEEJY-DLBZAZTESA-N 1 2 322.412 2.582 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cs1 ZINC000096058039 426394819 /nfs/dbraw/zinc/39/48/19/426394819.db2.gz DYWJLAGTDBVIIG-ZMSDIMECSA-N 1 2 316.426 2.954 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cs1 ZINC000096058039 426394820 /nfs/dbraw/zinc/39/48/20/426394820.db2.gz DYWJLAGTDBVIIG-ZMSDIMECSA-N 1 2 316.426 2.954 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060386 426394875 /nfs/dbraw/zinc/39/48/75/426394875.db2.gz IAAMFZQCXHOPBF-HNNXBMFYSA-N 1 2 315.417 2.565 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2nn(C)cc21 ZINC000096060386 426394878 /nfs/dbraw/zinc/39/48/78/426394878.db2.gz IAAMFZQCXHOPBF-HNNXBMFYSA-N 1 2 315.417 2.565 40 0 DFABLO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)N1c1ccccc1 ZINC000096186415 426404806 /nfs/dbraw/zinc/40/48/06/426404806.db2.gz OKFRSQZHHHRKDK-GJZGRUSLSA-N 1 2 313.426 2.913 40 0 DFABLO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)N1c1ccccc1 ZINC000096186415 426404809 /nfs/dbraw/zinc/40/48/09/426404809.db2.gz OKFRSQZHHHRKDK-GJZGRUSLSA-N 1 2 313.426 2.913 40 0 DFABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1 ZINC000096041892 426391366 /nfs/dbraw/zinc/39/13/66/426391366.db2.gz KPWQCURJTVNYPG-ARFHVFGLSA-N 1 2 318.348 2.625 40 0 DFABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1 ZINC000096041892 426391368 /nfs/dbraw/zinc/39/13/68/426391368.db2.gz KPWQCURJTVNYPG-ARFHVFGLSA-N 1 2 318.348 2.625 40 0 DFABLO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2nccs2)c1 ZINC000096055350 426393044 /nfs/dbraw/zinc/39/30/44/426393044.db2.gz RPCKWFHDAKLNJF-SQWLQELKSA-N 1 2 303.431 2.624 40 0 DFABLO c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2nccs2)c1 ZINC000096055350 426393047 /nfs/dbraw/zinc/39/30/47/426393047.db2.gz RPCKWFHDAKLNJF-SQWLQELKSA-N 1 2 303.431 2.624 40 0 DFABLO COc1ccccc1OC[C@@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225788359 426612125 /nfs/dbraw/zinc/61/21/25/426612125.db2.gz MJDHDNBFZZEMRE-GFCCVEGCSA-N 1 2 317.414 2.844 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@@H](COc3ccccn3)C2)co1 ZINC000247960860 426967267 /nfs/dbraw/zinc/96/72/67/426967267.db2.gz OGNHKIUBPRPPHF-MRXNPFEDSA-N 1 2 310.357 2.507 40 0 DFABLO CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328982532 427022197 /nfs/dbraw/zinc/02/21/97/427022197.db2.gz HBGQXWBVIPKZIK-UHFFFAOYSA-N 1 2 324.306 2.980 40 0 DFABLO CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328982532 427022203 /nfs/dbraw/zinc/02/22/03/427022203.db2.gz HBGQXWBVIPKZIK-UHFFFAOYSA-N 1 2 324.306 2.980 40 0 DFABLO CNc1nc(NCc2cccc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329014433 427024227 /nfs/dbraw/zinc/02/42/27/427024227.db2.gz MWUDHCKXNKELGY-UHFFFAOYSA-N 1 2 304.397 2.950 40 0 DFABLO CC(C)n1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000256052859 427304152 /nfs/dbraw/zinc/30/41/52/427304152.db2.gz OYLFXVDTMQLXHY-UHFFFAOYSA-N 1 2 301.316 2.513 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCOc3ccccc3F)C2)[nH+]1 ZINC000257203758 427310311 /nfs/dbraw/zinc/31/03/11/427310311.db2.gz ARNBSGSIPNLHCV-ZDUSSCGKSA-N 1 2 317.364 2.642 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCOc2ccccc2F)[nH+]1 ZINC000257200914 427311022 /nfs/dbraw/zinc/31/10/22/427311022.db2.gz AFIKPWSCWCFDLY-AWEZNQCLSA-N 1 2 317.364 2.990 40 0 DFABLO Cc1cc(C[C@H]2CC[C@@H]3CN(c4cc(C)[nH+]cn4)C[C@H]23)ncn1 ZINC000257215430 427314967 /nfs/dbraw/zinc/31/49/67/427314967.db2.gz CQBRVXQHCMVEMD-BFYDXBDKSA-N 1 2 309.417 2.589 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)[nH+]1 ZINC000257223532 427318339 /nfs/dbraw/zinc/31/83/39/427318339.db2.gz DXUKGTHYTLWPAW-ZDUSSCGKSA-N 1 2 317.364 2.642 40 0 DFABLO CCCn1nc(C)c(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1C ZINC000257257748 427324833 /nfs/dbraw/zinc/32/48/33/427324833.db2.gz KQXDNDYCJNEGPH-CQSZACIVSA-N 1 2 315.421 2.571 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000257259299 427326887 /nfs/dbraw/zinc/32/68/87/427326887.db2.gz KXSMJDJWOXPXTB-HNNXBMFYSA-N 1 2 316.380 2.588 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000257259299 427326896 /nfs/dbraw/zinc/32/68/96/427326896.db2.gz KXSMJDJWOXPXTB-HNNXBMFYSA-N 1 2 316.380 2.588 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCN2CCc3ccccc32)[nH+]1 ZINC000257266522 427329699 /nfs/dbraw/zinc/32/96/99/427329699.db2.gz MDJKRVZGUUYMEH-QGZVFWFLSA-N 1 2 324.428 2.834 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257270084 427331628 /nfs/dbraw/zinc/33/16/28/427331628.db2.gz MSRSBHDAUARINC-NSHDSACASA-N 1 2 322.796 2.698 40 0 DFABLO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)cc1F ZINC000192133402 427486156 /nfs/dbraw/zinc/48/61/56/427486156.db2.gz ZOIOJVDSZDBOEX-UKRRQHHQSA-N 1 2 321.327 2.845 40 0 DFABLO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)[nH]1 ZINC000185170063 427608888 /nfs/dbraw/zinc/60/88/88/427608888.db2.gz KHZHQNQMYYQYKU-CQSZACIVSA-N 1 2 316.405 2.721 40 0 DFABLO CCc1nnc(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)[nH]1 ZINC000185170063 427608896 /nfs/dbraw/zinc/60/88/96/427608896.db2.gz KHZHQNQMYYQYKU-CQSZACIVSA-N 1 2 316.405 2.721 40 0 DFABLO CCc1ccccc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000451924049 429022100 /nfs/dbraw/zinc/02/21/00/429022100.db2.gz BCHBGSBTGAELFY-LBPRGKRZSA-N 1 2 307.419 2.505 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257281762 281524597 /nfs/dbraw/zinc/52/45/97/281524597.db2.gz OQWXNHFBOKIVPX-LBPRGKRZSA-N 1 2 304.419 2.513 40 0 DFABLO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000195533379 294346930 /nfs/dbraw/zinc/34/69/30/294346930.db2.gz NSJTZCMQGKLDQN-FBIMIBRVSA-N 1 2 324.368 2.738 40 0 DFABLO CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000195533379 294346934 /nfs/dbraw/zinc/34/69/34/294346934.db2.gz NSJTZCMQGKLDQN-FBIMIBRVSA-N 1 2 324.368 2.738 40 0 DFABLO CCCc1nc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)no1 ZINC000079311609 185164671 /nfs/dbraw/zinc/16/46/71/185164671.db2.gz DJCGGWVGRSFKKT-MRXNPFEDSA-N 1 2 315.417 2.894 40 0 DFABLO CCCc1nc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)no1 ZINC000079311609 185164672 /nfs/dbraw/zinc/16/46/72/185164672.db2.gz DJCGGWVGRSFKKT-MRXNPFEDSA-N 1 2 315.417 2.894 40 0 DFABLO CC(C)n1cc(CC(=O)NCCc2c[nH+]c[nH]2)c2ccccc21 ZINC000079194193 185161326 /nfs/dbraw/zinc/16/13/26/185161326.db2.gz SFZZQMZULQZEJZ-UHFFFAOYSA-N 1 2 310.401 2.847 40 0 DFABLO CC(C)n1cc(CC(=O)NCCc2c[nH]c[nH+]2)c2ccccc21 ZINC000079194193 185161327 /nfs/dbraw/zinc/16/13/27/185161327.db2.gz SFZZQMZULQZEJZ-UHFFFAOYSA-N 1 2 310.401 2.847 40 0 DFABLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000082120370 192358563 /nfs/dbraw/zinc/35/85/63/192358563.db2.gz JPKJHVMXADRKOD-CYBMUJFWSA-N 1 2 319.355 2.647 40 0 DFABLO Cc1nc(C[N@@H+]2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)co1 ZINC000585279997 398439533 /nfs/dbraw/zinc/43/95/33/398439533.db2.gz VIYDHTKXHYNAKE-PBHICJAKSA-N 1 2 304.365 2.548 40 0 DFABLO Cc1nc(C[N@H+]2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)co1 ZINC000585279997 398439534 /nfs/dbraw/zinc/43/95/34/398439534.db2.gz VIYDHTKXHYNAKE-PBHICJAKSA-N 1 2 304.365 2.548 40 0 DFABLO CC(C)C[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112429 398432947 /nfs/dbraw/zinc/43/29/47/398432947.db2.gz PPGVZCDRUXSBTP-ZDUSSCGKSA-N 1 2 305.422 2.561 40 0 DFABLO CC(C)C[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112429 398432951 /nfs/dbraw/zinc/43/29/51/398432951.db2.gz PPGVZCDRUXSBTP-ZDUSSCGKSA-N 1 2 305.422 2.561 40 0 DFABLO CC(C)C[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112418 398433085 /nfs/dbraw/zinc/43/30/85/398433085.db2.gz PPGVZCDRUXSBTP-CYBMUJFWSA-N 1 2 305.422 2.561 40 0 DFABLO CC(C)C[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112418 398433088 /nfs/dbraw/zinc/43/30/88/398433088.db2.gz PPGVZCDRUXSBTP-CYBMUJFWSA-N 1 2 305.422 2.561 40 0 DFABLO C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)c2ccccc2S1 ZINC000585141162 398436013 /nfs/dbraw/zinc/43/60/13/398436013.db2.gz QRLZEEDUECBPJE-GFCCVEGCSA-N 1 2 301.415 2.880 40 0 DFABLO CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038832918 398557232 /nfs/dbraw/zinc/55/72/32/398557232.db2.gz XJJZNIMWUKCNBC-UHFFFAOYSA-N 1 2 324.424 2.791 40 0 DFABLO Cc1ccsc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129998053 185927505 /nfs/dbraw/zinc/92/75/05/185927505.db2.gz VZJWAPCWMOTCBS-CYBMUJFWSA-N 1 2 301.415 2.850 40 0 DFABLO Cn1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000080546168 192165666 /nfs/dbraw/zinc/16/56/66/192165666.db2.gz RJNWGZDCVGCWLO-MRXNPFEDSA-N 1 2 316.380 2.552 40 0 DFABLO Cn1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000080546168 192165669 /nfs/dbraw/zinc/16/56/69/192165669.db2.gz RJNWGZDCVGCWLO-MRXNPFEDSA-N 1 2 316.380 2.552 40 0 DFABLO Cc1noc(C)c1C[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083944093 192392380 /nfs/dbraw/zinc/39/23/80/192392380.db2.gz OQVWCYBDTTYKAQ-NRFANRHFSA-N 1 2 303.387 2.696 40 0 DFABLO Cc1ccc(S[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047081035 398735909 /nfs/dbraw/zinc/73/59/09/398735909.db2.gz VMAFEHDNZWMJSJ-AWEZNQCLSA-N 1 2 303.431 2.879 40 0 DFABLO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000078953897 399002398 /nfs/dbraw/zinc/00/23/98/399002398.db2.gz NESDFQSKNKGEMR-ZDUSSCGKSA-N 1 2 313.401 2.701 40 0 DFABLO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000078953897 399002405 /nfs/dbraw/zinc/00/24/05/399002405.db2.gz NESDFQSKNKGEMR-ZDUSSCGKSA-N 1 2 313.401 2.701 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccncc3)C2)co1 ZINC000247954699 202700751 /nfs/dbraw/zinc/70/07/51/202700751.db2.gz LOXHFOHKJLQZBY-GOSISDBHSA-N 1 2 324.384 2.645 40 0 DFABLO C[C@H]1c2nc(C(=O)N(C)C)cn2CC[N@H+]1CC1CCCCC1 ZINC000248000733 291327574 /nfs/dbraw/zinc/32/75/74/291327574.db2.gz NRFRANJYZLFELC-ZDUSSCGKSA-N 1 2 304.438 2.542 40 0 DFABLO C[C@H]1c2nc(C(=O)N(C)C)cn2CC[N@@H+]1CC1CCCCC1 ZINC000248000733 291327575 /nfs/dbraw/zinc/32/75/75/291327575.db2.gz NRFRANJYZLFELC-ZDUSSCGKSA-N 1 2 304.438 2.542 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)[nH+]1 ZINC000257297219 203020656 /nfs/dbraw/zinc/02/06/56/203020656.db2.gz RGJFOBXTAFZDPQ-CQSZACIVSA-N 1 2 301.365 2.806 40 0 DFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)nc(C)n1 ZINC000257299505 203022438 /nfs/dbraw/zinc/02/24/38/203022438.db2.gz RQIZUDUFUWXQSR-OAHLLOKOSA-N 1 2 301.369 2.698 40 0 DFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cn2)nc(C)n1 ZINC000257299505 203022441 /nfs/dbraw/zinc/02/24/41/203022441.db2.gz RQIZUDUFUWXQSR-OAHLLOKOSA-N 1 2 301.369 2.698 40 0 DFABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257306124 203029649 /nfs/dbraw/zinc/02/96/49/203029649.db2.gz SSZZTZPJTBCCPG-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257306124 203029653 /nfs/dbraw/zinc/02/96/53/203029653.db2.gz SSZZTZPJTBCCPG-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257306123 203030460 /nfs/dbraw/zinc/03/04/60/203030460.db2.gz SSZZTZPJTBCCPG-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257306123 203030463 /nfs/dbraw/zinc/03/04/63/203030463.db2.gz SSZZTZPJTBCCPG-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO Cc1nc(N2CCC3(CO[C@H](Cc4ccccn4)C3)CC2)cc[nH+]1 ZINC000257307936 203032243 /nfs/dbraw/zinc/03/22/43/203032243.db2.gz TUTTUZVFZIKOFI-QGZVFWFLSA-N 1 2 324.428 2.798 40 0 DFABLO c1ccc(N2CC[NH+](Cc3ccnc([C@H]4CCCO4)n3)CC2)cc1 ZINC000257284851 203012179 /nfs/dbraw/zinc/01/21/79/203012179.db2.gz PEOHQLGALOWOEE-GOSISDBHSA-N 1 2 324.428 2.650 40 0 DFABLO Cn1cccc1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257320771 203046024 /nfs/dbraw/zinc/04/60/24/203046024.db2.gz VYMZBERCAUGSPT-INIZCTEOSA-N 1 2 306.369 2.619 40 0 DFABLO Cc1cc(CC2CCN(C(=O)C3CCOCC3)CC2)cc[nH+]1 ZINC000257338011 203059916 /nfs/dbraw/zinc/05/99/16/203059916.db2.gz YVKKSSWDOQTTJQ-UHFFFAOYSA-N 1 2 302.418 2.598 40 0 DFABLO CC(C)C(=O)N[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080975798 399198887 /nfs/dbraw/zinc/19/88/87/399198887.db2.gz AQKYAMZHZJMQOJ-GFCCVEGCSA-N 1 2 315.339 2.841 40 0 DFABLO C[C@@H](C(=O)N[C@H](c1cccs1)c1ccncc1)n1cc[nH+]c1 ZINC000019079772 182103574 /nfs/dbraw/zinc/10/35/74/182103574.db2.gz LUUILBGADXEILX-WFASDCNBSA-N 1 2 312.398 2.806 40 0 DFABLO OCC[N@H+](Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019338687 182116853 /nfs/dbraw/zinc/11/68/53/182116853.db2.gz OGWGZZULTSEDOJ-UHFFFAOYSA-N 1 2 314.433 2.778 40 0 DFABLO OCC[N@@H+](Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019338687 182116856 /nfs/dbraw/zinc/11/68/56/182116856.db2.gz OGWGZZULTSEDOJ-UHFFFAOYSA-N 1 2 314.433 2.778 40 0 DFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccco3)[C@@H](C)C2)c1 ZINC000019575632 182130960 /nfs/dbraw/zinc/13/09/60/182130960.db2.gz KCDVTBXROJJRPJ-AWEZNQCLSA-N 1 2 314.385 2.635 40 0 DFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccco3)[C@@H](C)C2)c1 ZINC000019575632 182130963 /nfs/dbraw/zinc/13/09/63/182130963.db2.gz KCDVTBXROJJRPJ-AWEZNQCLSA-N 1 2 314.385 2.635 40 0 DFABLO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020104247 182186618 /nfs/dbraw/zinc/18/66/18/182186618.db2.gz SQIUUPOODLYRBJ-HNNXBMFYSA-N 1 2 315.417 2.980 40 0 DFABLO C[NH+]1CCN(CC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000023473207 182361293 /nfs/dbraw/zinc/36/12/93/182361293.db2.gz ANUJAORDMSHNEJ-AFGAAMFOSA-N 1 2 304.478 2.800 40 0 DFABLO CN1CC[NH+](CC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000023473207 182361296 /nfs/dbraw/zinc/36/12/96/182361296.db2.gz ANUJAORDMSHNEJ-AFGAAMFOSA-N 1 2 304.478 2.800 40 0 DFABLO CCn1nc(C)c(NC(=O)C[N@@H+]2CCc3sccc3C2)c1C ZINC000083836716 542504385 /nfs/dbraw/zinc/50/43/85/542504385.db2.gz YPFFCRLWJBUORS-UHFFFAOYSA-N 1 2 318.446 2.578 40 0 DFABLO CCn1nc(C)c(NC(=O)C[N@H+]2CCc3sccc3C2)c1C ZINC000083836716 542504388 /nfs/dbraw/zinc/50/43/88/542504388.db2.gz YPFFCRLWJBUORS-UHFFFAOYSA-N 1 2 318.446 2.578 40 0 DFABLO CS[C@H]1CCC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000083990511 542505098 /nfs/dbraw/zinc/50/50/98/542505098.db2.gz VYCDRSMJVHPBIA-KGLIPLIRSA-N 1 2 308.451 2.514 40 0 DFABLO O=C(NCC1=CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224344757 257233018 /nfs/dbraw/zinc/23/30/18/257233018.db2.gz LUHFQXCKEXXKTC-UHFFFAOYSA-N 1 2 314.429 2.749 40 0 DFABLO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2nccs2)c1 ZINC000107747419 426002393 /nfs/dbraw/zinc/00/23/93/426002393.db2.gz RPCKWFHDAKLNJF-LZWOXQAQSA-N 1 2 303.431 2.624 40 0 DFABLO c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2nccs2)c1 ZINC000107747419 426002395 /nfs/dbraw/zinc/00/23/95/426002395.db2.gz RPCKWFHDAKLNJF-LZWOXQAQSA-N 1 2 303.431 2.624 40 0 DFABLO O=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130205828 426149866 /nfs/dbraw/zinc/14/98/66/426149866.db2.gz XBYOOUYNCDLIKG-MRXNPFEDSA-N 1 2 313.376 2.548 40 0 DFABLO CC12CN3CC(C)(C[NH+](C1)C3c1cc3ccccc3[nH]c1=O)C2 ZINC000079191851 426190288 /nfs/dbraw/zinc/19/02/88/426190288.db2.gz RIDKCQBVPBVGKD-UHFFFAOYSA-N 1 2 309.413 2.574 40 0 DFABLO c1[nH]nc2ncnc(NCc3cc[nH+]c(N4CCCCCC4)c3)c12 ZINC000084613390 426242058 /nfs/dbraw/zinc/24/20/58/426242058.db2.gz QJOWADXMLXMQGR-UHFFFAOYSA-N 1 2 323.404 2.740 40 0 DFABLO CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096060213 426394914 /nfs/dbraw/zinc/39/49/14/426394914.db2.gz CCNNJGZQQRSZMJ-CQSZACIVSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060213 426394917 /nfs/dbraw/zinc/39/49/17/426394917.db2.gz CCNNJGZQQRSZMJ-CQSZACIVSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060213 426394918 /nfs/dbraw/zinc/39/49/18/426394918.db2.gz CCNNJGZQQRSZMJ-CQSZACIVSA-N 1 2 303.381 2.695 40 0 DFABLO c1coc(C[N@H+]2Cc3ccnn3C[C@H](COc3cccnc3)C2)c1 ZINC000096067281 426395058 /nfs/dbraw/zinc/39/50/58/426395058.db2.gz DQMXATVCAHOSKF-OAHLLOKOSA-N 1 2 324.384 2.582 40 0 DFABLO c1coc(C[N@@H+]2Cc3ccnn3C[C@H](COc3cccnc3)C2)c1 ZINC000096067281 426395060 /nfs/dbraw/zinc/39/50/60/426395060.db2.gz DQMXATVCAHOSKF-OAHLLOKOSA-N 1 2 324.384 2.582 40 0 DFABLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096259819 426410412 /nfs/dbraw/zinc/41/04/12/426410412.db2.gz ZFXNAIWPSYPNOE-UHFFFAOYSA-N 1 2 315.417 2.981 40 0 DFABLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096259819 426410416 /nfs/dbraw/zinc/41/04/16/426410416.db2.gz ZFXNAIWPSYPNOE-UHFFFAOYSA-N 1 2 315.417 2.981 40 0 DFABLO CC(C)C[N@@H+]1CCc2c(nc3cc(C(C)(C)C)[nH]n3c2=O)C1 ZINC000100482888 426482214 /nfs/dbraw/zinc/48/22/14/426482214.db2.gz QNNWCRKOUAJOSJ-UHFFFAOYSA-N 1 2 302.422 2.747 40 0 DFABLO CC(C)C[N@H+]1CCc2c(nc3cc(C(C)(C)C)[nH]n3c2=O)C1 ZINC000100482888 426482215 /nfs/dbraw/zinc/48/22/15/426482215.db2.gz QNNWCRKOUAJOSJ-UHFFFAOYSA-N 1 2 302.422 2.747 40 0 DFABLO CC(C)n1nccc1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256050615 427304243 /nfs/dbraw/zinc/30/42/43/427304243.db2.gz FTMVYZCGHHHCRY-UHFFFAOYSA-N 1 2 301.316 2.513 40 0 DFABLO Cc1c[nH]c(-c2cncc([C@@H]3CCCN3c3cc(C)[nH+]cn3)n2)n1 ZINC000257206580 427309211 /nfs/dbraw/zinc/30/92/11/427309211.db2.gz BECIQGHTWSVDCP-HNNXBMFYSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1c(CN2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)cnn1C ZINC000257206977 427311355 /nfs/dbraw/zinc/31/13/55/427311355.db2.gz BFRWQJWBSMZICE-QGZVFWFLSA-N 1 2 307.401 2.682 40 0 DFABLO CCOc1ccccc1CN1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257217804 427312465 /nfs/dbraw/zinc/31/24/65/427312465.db2.gz DARAURVNPCDARG-OAHLLOKOSA-N 1 2 301.390 2.690 40 0 DFABLO c1c[nH]c(-c2cncc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)n1 ZINC000257219214 427313549 /nfs/dbraw/zinc/31/35/49/427313549.db2.gz DGAJFCFHUXLAQD-ZDUSSCGKSA-N 1 2 306.373 2.646 40 0 DFABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257225881 427317412 /nfs/dbraw/zinc/31/74/12/427317412.db2.gz FIFNJMHYSAOCPA-OAHLLOKOSA-N 1 2 321.384 2.718 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)cc[nH+]1 ZINC000257238359 427321335 /nfs/dbraw/zinc/32/13/35/427321335.db2.gz HKPNTINSXIBRHC-OAHLLOKOSA-N 1 2 314.389 2.634 40 0 DFABLO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)c[nH]2)cc1CO ZINC000257269134 427327362 /nfs/dbraw/zinc/32/73/62/427327362.db2.gz MOSKSQGWIBRPPB-INIZCTEOSA-N 1 2 315.417 2.946 40 0 DFABLO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)c[nH]2)cc1CO ZINC000257269134 427327369 /nfs/dbraw/zinc/32/73/69/427327369.db2.gz MOSKSQGWIBRPPB-INIZCTEOSA-N 1 2 315.417 2.946 40 0 DFABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cncs2)cc(N(C)C)n1 ZINC000257313051 427330728 /nfs/dbraw/zinc/33/07/28/427330728.db2.gz UQUFDDMIOPUSBI-AWEZNQCLSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2cncs2)cc(N(C)C)n1 ZINC000257313051 427330737 /nfs/dbraw/zinc/33/07/37/427330737.db2.gz UQUFDDMIOPUSBI-AWEZNQCLSA-N 1 2 303.435 2.645 40 0 DFABLO Nc1[nH+]cnc(N2CC[C@H](Oc3cccc(F)c3)C2)c1Cl ZINC000302841206 427878622 /nfs/dbraw/zinc/87/86/22/427878622.db2.gz LYVLXGWNURZDJO-NSHDSACASA-N 1 2 308.744 2.509 40 0 DFABLO Nc1nc[nH+]c(N2CC[C@H](Oc3cccc(F)c3)C2)c1Cl ZINC000302841206 427878626 /nfs/dbraw/zinc/87/86/26/427878626.db2.gz LYVLXGWNURZDJO-NSHDSACASA-N 1 2 308.744 2.509 40 0 DFABLO O=C(N1CCCC1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216815 279805035 /nfs/dbraw/zinc/80/50/35/279805035.db2.gz NCURYMUZCDXWTO-GOSISDBHSA-N 1 2 314.433 2.590 40 0 DFABLO C[C@@]1(O)CC[N@H+](Cc2cscn2)C[C@H]1Oc1cccc(F)c1 ZINC000257213587 289212420 /nfs/dbraw/zinc/21/24/20/289212420.db2.gz CIFFLEWDEBIZDO-HZPDHXFCSA-N 1 2 322.405 2.687 40 0 DFABLO C[C@@]1(O)CC[N@@H+](Cc2cscn2)C[C@H]1Oc1cccc(F)c1 ZINC000257213587 289212424 /nfs/dbraw/zinc/21/24/24/289212424.db2.gz CIFFLEWDEBIZDO-HZPDHXFCSA-N 1 2 322.405 2.687 40 0 DFABLO CCc1ccccc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000451924048 297900475 /nfs/dbraw/zinc/90/04/75/297900475.db2.gz BCHBGSBTGAELFY-GFCCVEGCSA-N 1 2 307.419 2.505 40 0 DFABLO CC[C@@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)c1ccccc1 ZINC000078952651 185134594 /nfs/dbraw/zinc/13/45/94/185134594.db2.gz CTBLPFXSXIIESJ-OAHLLOKOSA-N 1 2 314.433 2.976 40 0 DFABLO Cc1cc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)cc[nH+]1 ZINC000079001831 185144751 /nfs/dbraw/zinc/14/47/51/185144751.db2.gz PFDXCRWNYQBNBK-UHFFFAOYSA-N 1 2 318.398 2.824 40 0 DFABLO CSc1nsc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000079055569 185150150 /nfs/dbraw/zinc/15/01/50/185150150.db2.gz RSTJSYYATVTZDV-UHFFFAOYSA-N 1 2 317.399 2.698 40 0 DFABLO O[C@H]1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)C1 ZINC000079439672 185171618 /nfs/dbraw/zinc/17/16/18/185171618.db2.gz BBUBERKYDYSJPD-HNNXBMFYSA-N 1 2 311.360 2.795 40 0 DFABLO c1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)cs1 ZINC000585103915 398432348 /nfs/dbraw/zinc/43/23/48/398432348.db2.gz DPMOUMOXALSSKT-OAHLLOKOSA-N 1 2 316.426 2.956 40 0 DFABLO CO[C@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585273087 398437550 /nfs/dbraw/zinc/43/75/50/398437550.db2.gz AKWXLVMXMLNYAT-GOSISDBHSA-N 1 2 315.417 2.696 40 0 DFABLO CO[C@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585273087 398437556 /nfs/dbraw/zinc/43/75/56/398437556.db2.gz AKWXLVMXMLNYAT-GOSISDBHSA-N 1 2 315.417 2.696 40 0 DFABLO C[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CCCC2)c2ccccn21 ZINC000306129975 530064067 /nfs/dbraw/zinc/06/40/67/530064067.db2.gz ITAGXQJGXBIPQU-HNNXBMFYSA-N 1 2 312.417 2.773 40 0 DFABLO C[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CCCC2)c2ccccn21 ZINC000306129975 530064068 /nfs/dbraw/zinc/06/40/68/530064068.db2.gz ITAGXQJGXBIPQU-HNNXBMFYSA-N 1 2 312.417 2.773 40 0 DFABLO C/C=C/C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083952897 192391980 /nfs/dbraw/zinc/39/19/80/192391980.db2.gz SFHMRAZLCAEITD-YATRRXNKSA-N 1 2 313.220 2.922 40 0 DFABLO O=C(N[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000043689583 398628171 /nfs/dbraw/zinc/62/81/71/398628171.db2.gz LYRYEJGHNASYQN-MRXNPFEDSA-N 1 2 304.353 2.685 40 0 DFABLO CC[N@@H+]1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072384599 191144359 /nfs/dbraw/zinc/14/43/59/191144359.db2.gz CWHXEEUAYSZHOD-GFCCVEGCSA-N 1 2 304.423 2.927 40 0 DFABLO CC[N@H+]1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072384599 191144362 /nfs/dbraw/zinc/14/43/62/191144362.db2.gz CWHXEEUAYSZHOD-GFCCVEGCSA-N 1 2 304.423 2.927 40 0 DFABLO Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cn3cc[nH+]c3)cc2)n1 ZINC000085293725 192487583 /nfs/dbraw/zinc/48/75/83/192487583.db2.gz ASEPHMYNWHQRRW-OAHLLOKOSA-N 1 2 323.400 2.563 40 0 DFABLO C[C@H]1CCC[N@H+](Cc2nccn2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518494 192278732 /nfs/dbraw/zinc/27/87/32/192278732.db2.gz DAVYTKKMYOFHQI-UONOGXRCSA-N 1 2 322.453 2.545 40 0 DFABLO C[C@H]1CCC[N@@H+](Cc2nccn2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518494 192278735 /nfs/dbraw/zinc/27/87/35/192278735.db2.gz DAVYTKKMYOFHQI-UONOGXRCSA-N 1 2 322.453 2.545 40 0 DFABLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890802 398995921 /nfs/dbraw/zinc/99/59/21/398995921.db2.gz DFVOZQBAUJUKPF-GFCCVEGCSA-N 1 2 315.377 2.587 40 0 DFABLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000078890802 398995929 /nfs/dbraw/zinc/99/59/29/398995929.db2.gz DFVOZQBAUJUKPF-GFCCVEGCSA-N 1 2 315.377 2.587 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)[nH+]1 ZINC000257215746 202950779 /nfs/dbraw/zinc/95/07/79/202950779.db2.gz CRLZRLFOWSOXDR-INIZCTEOSA-N 1 2 320.396 2.906 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)[C@H](c2ccccc2)C1 ZINC000257300822 203025064 /nfs/dbraw/zinc/02/50/64/203025064.db2.gz RVVNFYITYBRSLK-IBGZPJMESA-N 1 2 309.413 2.795 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)[C@H](c2ccccc2)C1 ZINC000257300822 203025066 /nfs/dbraw/zinc/02/50/66/203025066.db2.gz RVVNFYITYBRSLK-IBGZPJMESA-N 1 2 309.413 2.795 40 0 DFABLO Cc1c[nH]c(-c2cncc([C@H]3CCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257289971 203016277 /nfs/dbraw/zinc/01/62/77/203016277.db2.gz QAYRIIBFUPHEEJ-OAHLLOKOSA-N 1 2 321.388 2.615 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000257315956 203041045 /nfs/dbraw/zinc/04/10/45/203041045.db2.gz VDMYKALVDVPYGQ-INIZCTEOSA-N 1 2 311.385 2.866 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000257315957 203041805 /nfs/dbraw/zinc/04/18/05/203041805.db2.gz VDMYKALVDVPYGQ-MRXNPFEDSA-N 1 2 311.385 2.866 40 0 DFABLO Cc1noc(C)c1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257342916 203064356 /nfs/dbraw/zinc/06/43/56/203064356.db2.gz ZQPDMCITHCWGHM-AWEZNQCLSA-N 1 2 314.389 2.730 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)[nH+]1 ZINC000257342036 203065012 /nfs/dbraw/zinc/06/50/12/203065012.db2.gz ZMVAONKSEAMSCN-AWEZNQCLSA-N 1 2 315.421 2.627 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)[nH+]1 ZINC000257343064 203065588 /nfs/dbraw/zinc/06/55/88/203065588.db2.gz ZRIKKSHXOOZYQC-AWEZNQCLSA-N 1 2 309.373 2.652 40 0 DFABLO Cc1cnc(C(C)(C)NC(=O)NCCCCn2cc[nH+]c2)s1 ZINC000080097421 399117742 /nfs/dbraw/zinc/11/77/42/399117742.db2.gz OIBKGRFWUIQUEY-UHFFFAOYSA-N 1 2 321.450 2.663 40 0 DFABLO O=C(Nc1ccccc1F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022529997 182325201 /nfs/dbraw/zinc/32/52/01/182325201.db2.gz UUTPQAGYJNIOFK-UHFFFAOYSA-N 1 2 314.360 2.910 40 0 DFABLO CN(CCc1ccccc1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000083861083 542504273 /nfs/dbraw/zinc/50/42/73/542504273.db2.gz KFBMCWWPYHBLEM-GOSISDBHSA-N 1 2 323.440 2.999 40 0 DFABLO CCc1ncc(C[N@@H+]2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cn1 ZINC000072343232 256545059 /nfs/dbraw/zinc/54/50/59/256545059.db2.gz LVILTHVWZVEEJY-IAGOWNOFSA-N 1 2 322.412 2.582 40 0 DFABLO CCc1ncc(C[N@H+]2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cn1 ZINC000072343232 256545061 /nfs/dbraw/zinc/54/50/61/256545061.db2.gz LVILTHVWZVEEJY-IAGOWNOFSA-N 1 2 322.412 2.582 40 0 DFABLO CC[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225567 257123458 /nfs/dbraw/zinc/12/34/58/257123458.db2.gz RGMJYMUBDRCNLH-AWEZNQCLSA-N 1 2 321.421 2.582 40 0 DFABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534117 257138113 /nfs/dbraw/zinc/13/81/13/257138113.db2.gz MTNPDLKTYBQJOC-QGZVFWFLSA-N 1 2 324.384 2.749 40 0 DFABLO O=C(CCc1ccccc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130614577 196096387 /nfs/dbraw/zinc/09/63/87/196096387.db2.gz KXSIMMNLPKBCNE-KRWDZBQOSA-N 1 2 309.413 2.799 40 0 DFABLO Cc1ccccc1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696697 425894518 /nfs/dbraw/zinc/89/45/18/425894518.db2.gz RPAGRWWGOAZRSZ-UHFFFAOYSA-N 1 2 321.380 2.876 40 0 DFABLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057711533 425896683 /nfs/dbraw/zinc/89/66/83/425896683.db2.gz CRFUJKULKPLFEM-UHFFFAOYSA-N 1 2 323.868 2.639 40 0 DFABLO CC(C)(C)n1nnnc1[C@H](c1ccncc1)[NH+]1CCCCCC1 ZINC000057710735 425896718 /nfs/dbraw/zinc/89/67/18/425896718.db2.gz QTKSZRFHSFUIHK-HNNXBMFYSA-N 1 2 314.437 2.789 40 0 DFABLO CCc1nc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1Cc1ccccc1 ZINC000019523281 425790268 /nfs/dbraw/zinc/79/02/68/425790268.db2.gz CKLKFKAHDSYJNE-GOEBONIOSA-N 1 2 319.412 2.949 40 0 DFABLO CCc1nc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1Cc1ccccc1 ZINC000019523281 425790271 /nfs/dbraw/zinc/79/02/71/425790271.db2.gz CKLKFKAHDSYJNE-GOEBONIOSA-N 1 2 319.412 2.949 40 0 DFABLO O=C(CSCc1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000045162191 425860286 /nfs/dbraw/zinc/86/02/86/425860286.db2.gz AIWTWUGUYQMNRV-UHFFFAOYSA-N 1 2 323.849 2.976 40 0 DFABLO Cc1cccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000030852171 425832777 /nfs/dbraw/zinc/83/27/77/425832777.db2.gz CJJYARNLFQTHCF-UHFFFAOYSA-N 1 2 324.424 2.757 40 0 DFABLO CCN(Cc1ccccn1)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000084159961 426233396 /nfs/dbraw/zinc/23/33/96/426233396.db2.gz GXICNJCVTQRISW-UHFFFAOYSA-N 1 2 323.400 2.769 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000084331632 426236519 /nfs/dbraw/zinc/23/65/19/426236519.db2.gz SBIUVHFBRREMRO-UHFFFAOYSA-N 1 2 313.386 2.865 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060385 426395523 /nfs/dbraw/zinc/39/55/23/426395523.db2.gz XANRNCSWJYFNTD-CQSZACIVSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nn(C)cc21 ZINC000096060385 426395526 /nfs/dbraw/zinc/39/55/26/426395526.db2.gz XANRNCSWJYFNTD-CQSZACIVSA-N 1 2 303.381 2.695 40 0 DFABLO Fc1cnc(N2CCC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096158311 426402559 /nfs/dbraw/zinc/40/25/59/426402559.db2.gz DTLLSARSBYEPNI-QGZVFWFLSA-N 1 2 313.380 2.508 40 0 DFABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1cccs1 ZINC000096062037 426393916 /nfs/dbraw/zinc/39/39/16/426393916.db2.gz HVNFVZODBOMMQY-ZDUSSCGKSA-N 1 2 313.430 2.766 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226333 426409739 /nfs/dbraw/zinc/40/97/39/426409739.db2.gz RTHMHKODVVOPBM-GOSISDBHSA-N 1 2 313.401 2.546 40 0 DFABLO c1coc(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226333 426409740 /nfs/dbraw/zinc/40/97/40/426409740.db2.gz RTHMHKODVVOPBM-GOSISDBHSA-N 1 2 313.401 2.546 40 0 DFABLO C[C@@H]1CN(c2cc(CNc3ncccc3Cl)cc[nH+]2)CCO1 ZINC000195537913 426537334 /nfs/dbraw/zinc/53/73/34/426537334.db2.gz RKLXXYQVNOBHKY-GFCCVEGCSA-N 1 2 318.808 2.967 40 0 DFABLO COc1cccc2c1[nH+]cc(C)c2N1CCC(n2cncn2)CC1 ZINC000195576717 426540901 /nfs/dbraw/zinc/54/09/01/426540901.db2.gz JATFLMRBGHKRSO-UHFFFAOYSA-N 1 2 323.400 2.985 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000247884807 426964948 /nfs/dbraw/zinc/96/49/48/426964948.db2.gz CZJZKUGXZYIEOE-UAGQMJEPSA-N 1 2 314.385 2.733 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000247884807 426964954 /nfs/dbraw/zinc/96/49/54/426964954.db2.gz CZJZKUGXZYIEOE-UAGQMJEPSA-N 1 2 314.385 2.733 40 0 DFABLO OCCCNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329014767 427025242 /nfs/dbraw/zinc/02/52/42/427025242.db2.gz MXXMSHRYPAUMTQ-UHFFFAOYSA-N 1 2 318.808 3.545 40 0 DFABLO c1csc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)c1 ZINC000329062403 427035798 /nfs/dbraw/zinc/03/57/98/427035798.db2.gz WXTZUDUKILEKTC-UHFFFAOYSA-N 1 2 323.425 2.630 40 0 DFABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)no1 ZINC000257207499 427308968 /nfs/dbraw/zinc/30/89/68/427308968.db2.gz BIAGXMRKCBDHHM-HNNXBMFYSA-N 1 2 308.341 2.577 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)cc[nH+]1 ZINC000257223417 427317755 /nfs/dbraw/zinc/31/77/55/427317755.db2.gz DXGXSUPLGHDMMC-CQSZACIVSA-N 1 2 312.373 2.510 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257226889 427319145 /nfs/dbraw/zinc/31/91/45/427319145.db2.gz FMPRRSPHWKUWSF-MRXNPFEDSA-N 1 2 319.380 2.700 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257226889 427319154 /nfs/dbraw/zinc/31/91/54/427319154.db2.gz FMPRRSPHWKUWSF-MRXNPFEDSA-N 1 2 319.380 2.700 40 0 DFABLO CNc1ncccc1C[N@@H+]1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257242689 427320638 /nfs/dbraw/zinc/32/06/38/427320638.db2.gz IDSGQUVAOGCUQD-SFHVURJKSA-N 1 2 324.428 2.529 40 0 DFABLO CNc1ncccc1C[N@H+]1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257242689 427320644 /nfs/dbraw/zinc/32/06/44/427320644.db2.gz IDSGQUVAOGCUQD-SFHVURJKSA-N 1 2 324.428 2.529 40 0 DFABLO CNc1cc([C@H]2CCCN(C(=O)c3ncccc3C)C2)cc[nH+]1 ZINC000257256037 427323400 /nfs/dbraw/zinc/32/34/00/427323400.db2.gz KJVSCYVVRVJVJQ-HNNXBMFYSA-N 1 2 310.401 2.847 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCN2CCc3ccccc32)[nH+]1 ZINC000257266521 427328587 /nfs/dbraw/zinc/32/85/87/427328587.db2.gz MDJKRVZGUUYMEH-KRWDZBQOSA-N 1 2 324.428 2.834 40 0 DFABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2Cc2c[nH]nc2C)cc1 ZINC000257269721 427332982 /nfs/dbraw/zinc/33/29/82/427332982.db2.gz MRCLUWJTMUASHH-KRWDZBQOSA-N 1 2 323.400 2.680 40 0 DFABLO c1ccc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)nc1 ZINC000257333236 427333214 /nfs/dbraw/zinc/33/32/14/427333214.db2.gz YATYFECZWPQWPK-LJQANCHMSA-N 1 2 308.381 2.931 40 0 DFABLO c1ccc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)nc1 ZINC000257333236 427333224 /nfs/dbraw/zinc/33/32/24/427333224.db2.gz YATYFECZWPQWPK-LJQANCHMSA-N 1 2 308.381 2.931 40 0 DFABLO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2noc(C3CC3)n2)cc1F ZINC000192133419 427484943 /nfs/dbraw/zinc/48/49/43/427484943.db2.gz ZOIOJVDSZDBOEX-ZFWWWQNUSA-N 1 2 321.327 2.845 40 0 DFABLO Cc1c[nH+]ccc1NC(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000192418772 427537127 /nfs/dbraw/zinc/53/71/27/427537127.db2.gz CNPRADDYHJKTQV-UHFFFAOYSA-N 1 2 308.345 2.674 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306141120 280352241 /nfs/dbraw/zinc/35/22/41/280352241.db2.gz VLSWPVMNBIPRDR-DOTOQJQBSA-N 1 2 317.385 2.581 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306141120 280352243 /nfs/dbraw/zinc/35/22/43/280352243.db2.gz VLSWPVMNBIPRDR-DOTOQJQBSA-N 1 2 317.385 2.581 40 0 DFABLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000534331314 301228945 /nfs/dbraw/zinc/22/89/45/301228945.db2.gz NXZYDATYUBBBLZ-UHFFFAOYSA-N 1 2 324.808 2.566 40 0 DFABLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000534331314 301228949 /nfs/dbraw/zinc/22/89/49/301228949.db2.gz NXZYDATYUBBBLZ-UHFFFAOYSA-N 1 2 324.808 2.566 40 0 DFABLO Cc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000195565417 323284373 /nfs/dbraw/zinc/28/43/73/323284373.db2.gz IOHHXBFSZMDKPL-AWEZNQCLSA-N 1 2 310.401 2.852 40 0 DFABLO C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165047 341374166 /nfs/dbraw/zinc/37/41/66/341374166.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 1 2 315.505 2.782 40 0 DFABLO C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165047 341374167 /nfs/dbraw/zinc/37/41/67/341374167.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 1 2 315.505 2.782 40 0 DFABLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000079001667 185144757 /nfs/dbraw/zinc/14/47/57/185144757.db2.gz VTZPNLLKESNWSF-GJZGRUSLSA-N 1 2 315.417 2.757 40 0 DFABLO COc1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000079029293 185147528 /nfs/dbraw/zinc/14/75/28/185147528.db2.gz KQLMIRCFWZJGOY-UHFFFAOYSA-N 1 2 312.778 2.853 40 0 DFABLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000079097350 185158075 /nfs/dbraw/zinc/15/80/75/185158075.db2.gz FZDWMCYUQSRZJA-GFCCVEGCSA-N 1 2 309.410 2.897 40 0 DFABLO CC(C)c1cnc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000079097350 185158076 /nfs/dbraw/zinc/15/80/76/185158076.db2.gz FZDWMCYUQSRZJA-GFCCVEGCSA-N 1 2 309.410 2.897 40 0 DFABLO C[C@H](CO)Nc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000329002862 231412176 /nfs/dbraw/zinc/41/21/76/231412176.db2.gz KKFUSOZXLQOEJV-CQSZACIVSA-N 1 2 320.396 2.524 40 0 DFABLO CC(=O)N1CCC[C@@H](Cc2ccc(-c3c[nH+]c(C)n3C)nc2)C1 ZINC000585260983 398437358 /nfs/dbraw/zinc/43/73/58/398437358.db2.gz CEIXFMTVFQDVOQ-INIZCTEOSA-N 1 2 312.417 2.592 40 0 DFABLO O=C1S/C(=C/c2ccccc2F)C(=O)N1C[NH+]1CCCC1 ZINC000033909250 398547232 /nfs/dbraw/zinc/54/72/32/398547232.db2.gz DIMYAPMQMVHHMY-UKTHLTGXSA-N 1 2 306.362 2.915 40 0 DFABLO CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000083897691 192390419 /nfs/dbraw/zinc/39/04/19/192390419.db2.gz HNKNSVPDWJQQBA-BFHYXJOUSA-N 1 2 306.410 2.604 40 0 DFABLO Cc1cccn2cc(C[S@@](=O)Cc3noc(C(C)C)n3)[nH+]c12 ZINC000083953088 192391389 /nfs/dbraw/zinc/39/13/89/192391389.db2.gz JUZLKBDOQYJEOC-QFIPXVFZSA-N 1 2 318.402 2.598 40 0 DFABLO COc1ccc(C2(NC(=O)Cn3cc[nH+]c3)CCCCC2)cc1 ZINC000072346553 191128143 /nfs/dbraw/zinc/12/81/43/191128143.db2.gz UHRVLCBDQDXCSR-UHFFFAOYSA-N 1 2 313.401 2.868 40 0 DFABLO O=C(C1CCCC1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378510 191140800 /nfs/dbraw/zinc/14/08/00/191140800.db2.gz FDEVTHLVIMNQGS-OAHLLOKOSA-N 1 2 311.389 2.516 40 0 DFABLO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000080114140 192002641 /nfs/dbraw/zinc/00/26/41/192002641.db2.gz YECNCYLAMUGHKT-ZBEGNZNMSA-N 1 2 316.380 2.682 40 0 DFABLO COc1cc(NC(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000194408189 201221939 /nfs/dbraw/zinc/22/19/39/201221939.db2.gz OORUPLKLILFSAY-UHFFFAOYSA-N 1 2 308.769 2.757 40 0 DFABLO COc1ccc([C@@H]2CN(C(=O)c3cccs3)CC[N@@H+]2C)cc1 ZINC000257282394 203009546 /nfs/dbraw/zinc/00/95/46/203009546.db2.gz OTOVKWDJPLONCX-HNNXBMFYSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccc([C@@H]2CN(C(=O)c3cccs3)CC[N@H+]2C)cc1 ZINC000257282394 203009550 /nfs/dbraw/zinc/00/95/50/203009550.db2.gz OTOVKWDJPLONCX-HNNXBMFYSA-N 1 2 316.426 2.886 40 0 DFABLO Cc1cc2nccc(C3CCN(c4cc[nH+]c(C)n4)CC3)n2n1 ZINC000257332570 203054528 /nfs/dbraw/zinc/05/45/28/203054528.db2.gz XXXFSYXMVWLTIG-UHFFFAOYSA-N 1 2 308.389 2.520 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257332552 203054824 /nfs/dbraw/zinc/05/48/24/203054824.db2.gz XXUREHUOUXSGIA-ZDUSSCGKSA-N 1 2 316.405 2.607 40 0 DFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257313063 203036104 /nfs/dbraw/zinc/03/61/04/203036104.db2.gz UQWHPEYSYSWIRW-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257313063 203036107 /nfs/dbraw/zinc/03/61/07/203036107.db2.gz UQWHPEYSYSWIRW-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000257312303 203037571 /nfs/dbraw/zinc/03/75/71/203037571.db2.gz UNHWCRFTFFQCOZ-OAHLLOKOSA-N 1 2 317.414 2.649 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cncs2)C[C@@H]1c1ccccc1 ZINC000257313984 203038400 /nfs/dbraw/zinc/03/84/00/203038400.db2.gz UUXUGIIMLQHTPD-MRXNPFEDSA-N 1 2 301.415 2.549 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cncs2)C[C@@H]1c1ccccc1 ZINC000257313984 203038402 /nfs/dbraw/zinc/03/84/02/203038402.db2.gz UUXUGIIMLQHTPD-MRXNPFEDSA-N 1 2 301.415 2.549 40 0 DFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000257325449 203049187 /nfs/dbraw/zinc/04/91/87/203049187.db2.gz WSYZAKHZPFZFLA-GFCCVEGCSA-N 1 2 323.443 2.711 40 0 DFABLO Nc1cccc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257344080 203066644 /nfs/dbraw/zinc/06/66/44/203066644.db2.gz ZVSGAXMSRWIMFE-SFHVURJKSA-N 1 2 323.396 2.513 40 0 DFABLO Nc1cccc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257344080 203066646 /nfs/dbraw/zinc/06/66/46/203066646.db2.gz ZVSGAXMSRWIMFE-SFHVURJKSA-N 1 2 323.396 2.513 40 0 DFABLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194336790 399177984 /nfs/dbraw/zinc/17/79/84/399177984.db2.gz ZFHYLTKULBEDEM-ZDUSSCGKSA-N 1 2 317.414 2.646 40 0 DFABLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194336790 399177987 /nfs/dbraw/zinc/17/79/87/399177987.db2.gz ZFHYLTKULBEDEM-ZDUSSCGKSA-N 1 2 317.414 2.646 40 0 DFABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020110414 182187909 /nfs/dbraw/zinc/18/79/09/182187909.db2.gz RKBFUDRCYNGZNY-QGZVFWFLSA-N 1 2 315.417 2.864 40 0 DFABLO Cc1cc(C)c2nc(NC3=[NH+]CN(C(C)C)CN3)nc(C)c2c1 ZINC000020634427 182239934 /nfs/dbraw/zinc/23/99/34/182239934.db2.gz RLUDPFFGUMWMSY-UHFFFAOYSA-N 1 2 312.421 2.552 40 0 DFABLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000084494135 542510408 /nfs/dbraw/zinc/51/04/08/542510408.db2.gz KJPXWJFRKAMPCD-CYBMUJFWSA-N 1 2 323.356 2.572 40 0 DFABLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cn2ccccc2n1 ZINC000083884476 542504510 /nfs/dbraw/zinc/50/45/10/542504510.db2.gz DKEINZADBPCOBJ-KBMXLJTQSA-N 1 2 313.401 2.640 40 0 DFABLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cn2ccccc2n1 ZINC000083884476 542504514 /nfs/dbraw/zinc/50/45/14/542504514.db2.gz DKEINZADBPCOBJ-KBMXLJTQSA-N 1 2 313.401 2.640 40 0 DFABLO Cc1cc([C@@H](C)O)c[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072222611 257124452 /nfs/dbraw/zinc/12/44/52/257124452.db2.gz AXESCURMAAKFLZ-CYBMUJFWSA-N 1 2 321.421 2.500 40 0 DFABLO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000095533885 257137580 /nfs/dbraw/zinc/13/75/80/257137580.db2.gz SLJRNQKVOIIBED-INIZCTEOSA-N 1 2 324.384 2.845 40 0 DFABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095533885 257137581 /nfs/dbraw/zinc/13/75/81/257137581.db2.gz SLJRNQKVOIIBED-INIZCTEOSA-N 1 2 324.384 2.845 40 0 DFABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534116 257137800 /nfs/dbraw/zinc/13/78/00/257137800.db2.gz MTNPDLKTYBQJOC-KRWDZBQOSA-N 1 2 324.384 2.749 40 0 DFABLO CC(C)[N@H+](CC(=O)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000001713436 425584940 /nfs/dbraw/zinc/58/49/40/425584940.db2.gz JNKWGTAHRFQRII-UHFFFAOYSA-N 1 2 310.397 2.854 40 0 DFABLO CC(C)[N@@H+](CC(=O)NC(=O)c1ccccc1)Cc1ccccc1 ZINC000001713436 425584942 /nfs/dbraw/zinc/58/49/42/425584942.db2.gz JNKWGTAHRFQRII-UHFFFAOYSA-N 1 2 310.397 2.854 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccco2)CC1 ZINC000012481962 425728177 /nfs/dbraw/zinc/72/81/77/425728177.db2.gz NXHZFVSKZQRFLR-UHFFFAOYSA-N 1 2 324.384 2.612 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000013265827 425751210 /nfs/dbraw/zinc/75/12/10/425751210.db2.gz OVYOLDHXWAKOHS-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO COc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030869496 425832589 /nfs/dbraw/zinc/83/25/89/425832589.db2.gz KUVBVSQVODTDED-UHFFFAOYSA-N 1 2 307.353 2.811 40 0 DFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000079349341 426191304 /nfs/dbraw/zinc/19/13/04/426191304.db2.gz YKFDEQFOLPBXHC-NVXWUHKLSA-N 1 2 302.422 2.804 40 0 DFABLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(c2ccccc2)CC1 ZINC000084525079 426239756 /nfs/dbraw/zinc/23/97/56/426239756.db2.gz FMXQDNKLWCFTDV-QGZVFWFLSA-N 1 2 308.381 2.793 40 0 DFABLO O=C(Nc1ccc(F)cc1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000090470246 426327023 /nfs/dbraw/zinc/32/70/23/426327023.db2.gz WOUCFFIEPXYTGR-UHFFFAOYSA-N 1 2 302.353 2.966 40 0 DFABLO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096059853 426394535 /nfs/dbraw/zinc/39/45/35/426394535.db2.gz JQRIPIPBGRXKSH-OAHLLOKOSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096059853 426394538 /nfs/dbraw/zinc/39/45/38/426394538.db2.gz JQRIPIPBGRXKSH-OAHLLOKOSA-N 1 2 301.390 2.539 40 0 DFABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccsc1 ZINC000096201248 426405692 /nfs/dbraw/zinc/40/56/92/426405692.db2.gz RAKNZWKCJKBUMK-CYBMUJFWSA-N 1 2 313.430 2.766 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1ccco1)CC2 ZINC000096197762 426406333 /nfs/dbraw/zinc/40/63/33/426406333.db2.gz IAQXQTAFQRZQTQ-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1ccco1)CC2 ZINC000096197762 426406337 /nfs/dbraw/zinc/40/63/37/426406337.db2.gz IAQXQTAFQRZQTQ-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO O=C1N(c2cccnc2)CC[C@@]12CCCN(c1cccc[nH+]1)C2 ZINC000096224505 426409940 /nfs/dbraw/zinc/40/99/40/426409940.db2.gz JONRTZZNLOUVMD-GOSISDBHSA-N 1 2 308.385 2.500 40 0 DFABLO O=C(NCc1ccco1)C12CC(C1)C[N@H+]2Cc1cccc(F)c1 ZINC000096252625 426410616 /nfs/dbraw/zinc/41/06/16/426410616.db2.gz RMKUIAMCECNICA-UHFFFAOYSA-N 1 2 314.360 2.700 40 0 DFABLO O=C(NCc1ccco1)C12CC(C1)C[N@@H+]2Cc1cccc(F)c1 ZINC000096252625 426410619 /nfs/dbraw/zinc/41/06/19/426410619.db2.gz RMKUIAMCECNICA-UHFFFAOYSA-N 1 2 314.360 2.700 40 0 DFABLO CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096531489 426439644 /nfs/dbraw/zinc/43/96/44/426439644.db2.gz IDLIAPYQXYNORV-UHFFFAOYSA-N 1 2 305.378 2.602 40 0 DFABLO CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096531489 426439647 /nfs/dbraw/zinc/43/96/47/426439647.db2.gz IDLIAPYQXYNORV-UHFFFAOYSA-N 1 2 305.378 2.602 40 0 DFABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)co1 ZINC000247955775 426967512 /nfs/dbraw/zinc/96/75/12/426967512.db2.gz OHLDQUFPOXYGOE-KRWDZBQOSA-N 1 2 314.385 2.625 40 0 DFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCC1CC1 ZINC000248120532 426981297 /nfs/dbraw/zinc/98/12/97/426981297.db2.gz DWKKIUHZPHKQCX-KRWDZBQOSA-N 1 2 317.429 2.713 40 0 DFABLO CC(C)Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328981567 427020397 /nfs/dbraw/zinc/02/03/97/427020397.db2.gz GUJNKSYDYPGTDS-INIZCTEOSA-N 1 2 314.433 3.393 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257211746 427310005 /nfs/dbraw/zinc/31/00/05/427310005.db2.gz CAGKJTGULCVBRX-GFCCVEGCSA-N 1 2 305.328 2.555 40 0 DFABLO Cc1cc(CC2CCN(C(=O)Cc3cccnc3)CC2)cc[nH+]1 ZINC000257224346 427318409 /nfs/dbraw/zinc/31/84/09/427318409.db2.gz FBKSUUVDVURMRG-UHFFFAOYSA-N 1 2 309.413 2.809 40 0 DFABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2cscn2)nc1 ZINC000257230798 427318989 /nfs/dbraw/zinc/31/89/89/427318989.db2.gz GDYNOEGICPFDJF-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2cscn2)nc1 ZINC000257230798 427318993 /nfs/dbraw/zinc/31/89/93/427318993.db2.gz GDYNOEGICPFDJF-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257241910 427319720 /nfs/dbraw/zinc/31/97/20/427319720.db2.gz IAFDLFWLTPSEMO-CYBMUJFWSA-N 1 2 318.446 2.740 40 0 DFABLO O=C(c1ccncc1)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257238185 427320886 /nfs/dbraw/zinc/32/08/86/427320886.db2.gz HJXYAZJKDPRUCN-HNNXBMFYSA-N 1 2 306.369 2.749 40 0 DFABLO Cc1ocnc1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257246276 427321482 /nfs/dbraw/zinc/32/14/82/427321482.db2.gz ITKJSPLLSVSWTR-CQSZACIVSA-N 1 2 308.341 2.577 40 0 DFABLO Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257237264 427322255 /nfs/dbraw/zinc/32/22/55/427322255.db2.gz HFUOYSSJFRFALZ-KRWDZBQOSA-N 1 2 324.428 2.824 40 0 DFABLO Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257237264 427322258 /nfs/dbraw/zinc/32/22/58/427322258.db2.gz HFUOYSSJFRFALZ-KRWDZBQOSA-N 1 2 324.428 2.824 40 0 DFABLO COc1ccc([C@@H]2CN(Cc3cncs3)CC[N@@H+]2C)cc1 ZINC000257257154 427325134 /nfs/dbraw/zinc/32/51/34/427325134.db2.gz KOGYACASSLEAPW-INIZCTEOSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccc([C@@H]2CN(Cc3cncs3)CC[N@H+]2C)cc1 ZINC000257257154 427325140 /nfs/dbraw/zinc/32/51/40/427325140.db2.gz KOGYACASSLEAPW-INIZCTEOSA-N 1 2 303.431 2.640 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)[nH+]1 ZINC000257255423 427326006 /nfs/dbraw/zinc/32/60/06/427326006.db2.gz KHKVPCDTKJLSRX-ZDUSSCGKSA-N 1 2 323.352 2.802 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257313983 427330548 /nfs/dbraw/zinc/33/05/48/427330548.db2.gz UUXUGIIMLQHTPD-INIZCTEOSA-N 1 2 301.415 2.549 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000257313983 427330558 /nfs/dbraw/zinc/33/05/58/427330558.db2.gz UUXUGIIMLQHTPD-INIZCTEOSA-N 1 2 301.415 2.549 40 0 DFABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2Cc2c[nH]nc2C)cc1 ZINC000257269722 427331560 /nfs/dbraw/zinc/33/15/60/427331560.db2.gz MRCLUWJTMUASHH-QGZVFWFLSA-N 1 2 323.400 2.680 40 0 DFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnns2)CC1 ZINC000192352663 427523723 /nfs/dbraw/zinc/52/37/23/427523723.db2.gz HISTYGAUCKTOJD-JTQLQIEISA-N 1 2 323.447 2.510 40 0 DFABLO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000257320392 278040552 /nfs/dbraw/zinc/04/05/52/278040552.db2.gz VWPQJTLQZHWXCN-CQSZACIVSA-N 1 2 300.324 2.844 40 0 DFABLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000257320392 278040553 /nfs/dbraw/zinc/04/05/53/278040553.db2.gz VWPQJTLQZHWXCN-CQSZACIVSA-N 1 2 300.324 2.844 40 0 DFABLO C[C@@H]1c2nc(C(=O)N(C)C)cn2CC[N@H+]1CC1CCCCC1 ZINC000248000728 289099552 /nfs/dbraw/zinc/09/95/52/289099552.db2.gz NRFRANJYZLFELC-CYBMUJFWSA-N 1 2 304.438 2.542 40 0 DFABLO C[C@@H]1c2nc(C(=O)N(C)C)cn2CC[N@@H+]1CC1CCCCC1 ZINC000248000728 289099556 /nfs/dbraw/zinc/09/95/56/289099556.db2.gz NRFRANJYZLFELC-CYBMUJFWSA-N 1 2 304.438 2.542 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257244516 301025367 /nfs/dbraw/zinc/02/53/67/301025367.db2.gz ILSPEFYKIFLLNZ-CYBMUJFWSA-N 1 2 305.765 2.585 40 0 DFABLO CS(=O)(=O)CCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422969 323208745 /nfs/dbraw/zinc/20/87/45/323208745.db2.gz LVVAAXOMIUGVPZ-UHFFFAOYSA-N 1 2 313.850 2.864 40 0 DFABLO CS(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422969 323208746 /nfs/dbraw/zinc/20/87/46/323208746.db2.gz LVVAAXOMIUGVPZ-UHFFFAOYSA-N 1 2 313.850 2.864 40 0 DFABLO COc1ccc(CC[S@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000195579403 323284962 /nfs/dbraw/zinc/28/49/62/323284962.db2.gz GCYCWMWYDXXHAF-QFIPXVFZSA-N 1 2 314.410 2.834 40 0 DFABLO Cc1cccc(-c2cnc3n2CC[N@@H+](Cc2cnn(C)c2)C3)c1 ZINC000306140993 534551009 /nfs/dbraw/zinc/55/10/09/534551009.db2.gz VIJPGFTVUNNBHH-UHFFFAOYSA-N 1 2 307.401 2.608 40 0 DFABLO Cc1cccc(-c2cnc3n2CC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000306140993 534551014 /nfs/dbraw/zinc/55/10/14/534551014.db2.gz VIJPGFTVUNNBHH-UHFFFAOYSA-N 1 2 307.401 2.608 40 0 DFABLO O=C(c1nccc2ccccc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000079297902 185163858 /nfs/dbraw/zinc/16/38/58/185163858.db2.gz CGRUAKUHUUHCNS-UHFFFAOYSA-N 1 2 321.380 2.786 40 0 DFABLO Cn1cc[nH+]c1[C@@H](NCc1c(F)cccc1F)C(C)(C)CO ZINC000585142056 398436586 /nfs/dbraw/zinc/43/65/86/398436586.db2.gz NVFIDPOKWMMTCO-CQSZACIVSA-N 1 2 309.360 2.548 40 0 DFABLO COCC(=O)N1CCC[C@H](c2[nH+]c(C)n3c(C)c(C)sc23)C1 ZINC000072351268 191129129 /nfs/dbraw/zinc/12/91/29/191129129.db2.gz AUNMHQYVWXPMMO-ZDUSSCGKSA-N 1 2 321.446 2.673 40 0 DFABLO CCn1c(SC)nnc1C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000072369026 191137996 /nfs/dbraw/zinc/13/79/96/191137996.db2.gz HZSDGSIALOIPAL-UHFFFAOYSA-N 1 2 318.450 2.502 40 0 DFABLO O=C(c1cccnc1)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378426 191141326 /nfs/dbraw/zinc/14/13/26/191141326.db2.gz OMVDYNGMGYJMMT-INIZCTEOSA-N 1 2 319.368 2.640 40 0 DFABLO CNc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)cc3)CCO2)nc1 ZINC000072388115 191146482 /nfs/dbraw/zinc/14/64/82/191146482.db2.gz UMJNSYMFOAEWGM-SFHVURJKSA-N 1 2 313.401 2.705 40 0 DFABLO CNc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)cc3)CCO2)nc1 ZINC000072388115 191146484 /nfs/dbraw/zinc/14/64/84/191146484.db2.gz UMJNSYMFOAEWGM-SFHVURJKSA-N 1 2 313.401 2.705 40 0 DFABLO Cc1cc(N2CCC[C@H]2c2cn3cccc3c(N(C)C)n2)nc[nH+]1 ZINC000257223563 202957491 /nfs/dbraw/zinc/95/74/91/202957491.db2.gz DXYHSLLPYUTIFW-HNNXBMFYSA-N 1 2 322.416 2.840 40 0 DFABLO CNc1cc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257295635 203020837 /nfs/dbraw/zinc/02/08/37/203020837.db2.gz QZFNPIFGCGJAFY-AWEZNQCLSA-N 1 2 323.462 2.575 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257302253 203027421 /nfs/dbraw/zinc/02/74/21/203027421.db2.gz SCDNQLHKUDHQAE-CYBMUJFWSA-N 1 2 323.400 2.625 40 0 DFABLO COc1cccc(CC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257304865 203029177 /nfs/dbraw/zinc/02/91/77/203029177.db2.gz SNLLFJKAXDLDOW-OAHLLOKOSA-N 1 2 313.401 2.675 40 0 DFABLO CNc1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257305108 203030365 /nfs/dbraw/zinc/03/03/65/203030365.db2.gz SOLZZTBTKWRKGT-AWEZNQCLSA-N 1 2 300.410 2.633 40 0 DFABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257305108 203030369 /nfs/dbraw/zinc/03/03/69/203030369.db2.gz SOLZZTBTKWRKGT-AWEZNQCLSA-N 1 2 300.410 2.633 40 0 DFABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257305108 203030372 /nfs/dbraw/zinc/03/03/72/203030372.db2.gz SOLZZTBTKWRKGT-AWEZNQCLSA-N 1 2 300.410 2.633 40 0 DFABLO Cc1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)nc[nH+]1 ZINC000257290113 203015413 /nfs/dbraw/zinc/01/54/13/203015413.db2.gz QBQHTHORYFZKEA-IBGZPJMESA-N 1 2 324.428 2.708 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257294149 203018744 /nfs/dbraw/zinc/01/87/44/203018744.db2.gz QSTSJPXGGGQECX-GFCCVEGCSA-N 1 2 312.402 2.660 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257294149 203018747 /nfs/dbraw/zinc/01/87/47/203018747.db2.gz QSTSJPXGGGQECX-GFCCVEGCSA-N 1 2 312.402 2.660 40 0 DFABLO CCc1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)on1 ZINC000257318581 203043897 /nfs/dbraw/zinc/04/38/97/203043897.db2.gz VOOOXFKAZXVXBJ-CYBMUJFWSA-N 1 2 314.389 2.694 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)[nH+]1 ZINC000257342037 203064383 /nfs/dbraw/zinc/06/43/83/203064383.db2.gz ZMVAONKSEAMSCN-CQSZACIVSA-N 1 2 315.421 2.627 40 0 DFABLO [NH3+][C@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533284 193446155 /nfs/dbraw/zinc/44/61/55/193446155.db2.gz RCKUKDFDFPXSIX-HNNXBMFYSA-N 1 2 316.311 2.710 40 0 DFABLO CC(C)COC[C@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096060231 193511846 /nfs/dbraw/zinc/51/18/46/193511846.db2.gz GAXZSKJWJQRKRU-OAHLLOKOSA-N 1 2 303.406 2.785 40 0 DFABLO CCC1(CC)C[N@H+](Cc2ccc(O)c(OC)c2)CC[S@]1=O ZINC000194995015 399183364 /nfs/dbraw/zinc/18/33/64/399183364.db2.gz KBSHVPWXRGXQBX-OAQYLSRUSA-N 1 2 311.447 2.524 40 0 DFABLO CCC1(CC)C[N@@H+](Cc2ccc(O)c(OC)c2)CC[S@]1=O ZINC000194995015 399183368 /nfs/dbraw/zinc/18/33/68/399183368.db2.gz KBSHVPWXRGXQBX-OAQYLSRUSA-N 1 2 311.447 2.524 40 0 DFABLO C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1)[NH+](C)C ZINC000195574659 399188214 /nfs/dbraw/zinc/18/82/14/399188214.db2.gz BNKJTALOKTZVBW-JTQLQIEISA-N 1 2 310.398 2.596 40 0 DFABLO c1ccc(-c2noc([C@H]3C[N@H+](Cc4ccncc4)CCO3)n2)cc1 ZINC000019374377 182121105 /nfs/dbraw/zinc/12/11/05/182121105.db2.gz CODGSTHCAIVNQM-MRXNPFEDSA-N 1 2 322.368 2.705 40 0 DFABLO c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccncc4)CCO3)n2)cc1 ZINC000019374377 182121106 /nfs/dbraw/zinc/12/11/06/182121106.db2.gz CODGSTHCAIVNQM-MRXNPFEDSA-N 1 2 322.368 2.705 40 0 DFABLO c1ccc(-c2noc([C@H]3C[N@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000019374370 182121141 /nfs/dbraw/zinc/12/11/41/182121141.db2.gz LXMGBVMJRLYKCO-MRXNPFEDSA-N 1 2 322.368 2.705 40 0 DFABLO c1ccc(-c2noc([C@H]3C[N@@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000019374370 182121143 /nfs/dbraw/zinc/12/11/43/182121143.db2.gz LXMGBVMJRLYKCO-MRXNPFEDSA-N 1 2 322.368 2.705 40 0 DFABLO O=C1S/C(=C\c2ccccc2F)C(=O)N1C[NH+]1CCCC1 ZINC000019312912 182114089 /nfs/dbraw/zinc/11/40/89/182114089.db2.gz DIMYAPMQMVHHMY-LCYFTJDESA-N 1 2 306.362 2.915 40 0 DFABLO C[C@@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Cc1ccccc1F ZINC000019574548 182131210 /nfs/dbraw/zinc/13/12/10/182131210.db2.gz UQTDABXSYJUJNP-CQSZACIVSA-N 1 2 316.376 2.694 40 0 DFABLO C[C@@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Cc1ccccc1F ZINC000019574548 182131212 /nfs/dbraw/zinc/13/12/12/182131212.db2.gz UQTDABXSYJUJNP-CQSZACIVSA-N 1 2 316.376 2.694 40 0 DFABLO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020460000 182220244 /nfs/dbraw/zinc/22/02/44/182220244.db2.gz QSBCHYHPJMJSOC-MRXNPFEDSA-N 1 2 301.390 2.555 40 0 DFABLO COc1ccc([NH2+]CCc2nc(-c3ccc(N)cc3)n[nH]2)cc1 ZINC000062719294 184250728 /nfs/dbraw/zinc/25/07/28/184250728.db2.gz CVBZWVHAVJWZSK-UHFFFAOYSA-N 1 2 309.373 2.717 40 0 DFABLO CCc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3F)CCO2)[nH]1 ZINC000083830071 542503295 /nfs/dbraw/zinc/50/32/95/542503295.db2.gz CRAGUMZLVORVDV-FZMZJTMJSA-N 1 2 304.369 2.641 40 0 DFABLO CCc1nnc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3F)CCO2)[nH]1 ZINC000083830071 542503299 /nfs/dbraw/zinc/50/32/99/542503299.db2.gz CRAGUMZLVORVDV-FZMZJTMJSA-N 1 2 304.369 2.641 40 0 DFABLO COc1ccc(C)cc1C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000084142405 542506173 /nfs/dbraw/zinc/50/61/73/542506173.db2.gz GMYXJNNDPYAETD-ZDUSSCGKSA-N 1 2 300.406 2.782 40 0 DFABLO O=C(NC1CC1)C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000084613381 542511848 /nfs/dbraw/zinc/51/18/48/542511848.db2.gz QKGMGSLEMRODHO-UHFFFAOYSA-N 1 2 313.323 2.595 40 0 DFABLO C[C@@H]1CCC[N@H+](Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000192054957 256592097 /nfs/dbraw/zinc/59/20/97/256592097.db2.gz IJNFCCMCPYNJTL-ZIAGYGMSSA-N 1 2 320.437 2.602 40 0 DFABLO C[C@@H]1CCC[N@@H+](Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000192054957 256592099 /nfs/dbraw/zinc/59/20/99/256592099.db2.gz IJNFCCMCPYNJTL-ZIAGYGMSSA-N 1 2 320.437 2.602 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3ccccc3F)C2)[nH+]1 ZINC000257326153 256622107 /nfs/dbraw/zinc/62/21/07/256622107.db2.gz WWAZFCMTUNMEQP-AWEZNQCLSA-N 1 2 301.365 2.806 40 0 DFABLO COc1cccc(NCc2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534869 257136296 /nfs/dbraw/zinc/13/62/96/257136296.db2.gz RGUJNCPJRGRMAA-INIZCTEOSA-N 1 2 323.400 2.668 40 0 DFABLO COc1cccc(NCc2nc([C@@H]([NH3+])Cc3ccccc3)n[nH]2)c1 ZINC000095534869 257136298 /nfs/dbraw/zinc/13/62/98/257136298.db2.gz RGUJNCPJRGRMAA-INIZCTEOSA-N 1 2 323.400 2.668 40 0 DFABLO CC(C)(C)c1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000147743145 542662096 /nfs/dbraw/zinc/66/20/96/542662096.db2.gz DMTLPDAIFBPVMC-UHFFFAOYSA-N 1 2 306.475 2.581 40 0 DFABLO CCc1[nH]c2ccc(NC(=O)C3Oc4ccccc4O3)cc2[nH+]1 ZINC000012116924 425718663 /nfs/dbraw/zinc/71/86/63/425718663.db2.gz PJIHKPGGFKBGKH-UHFFFAOYSA-N 1 2 309.325 2.861 40 0 DFABLO c1cc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)no2)cs1 ZINC000084618551 426242076 /nfs/dbraw/zinc/24/20/76/426242076.db2.gz TVNXGPWXYYYRPN-NWDGAFQWSA-N 1 2 323.443 2.504 40 0 DFABLO c1cc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)no2)cs1 ZINC000084618551 426242077 /nfs/dbraw/zinc/24/20/77/426242077.db2.gz TVNXGPWXYYYRPN-NWDGAFQWSA-N 1 2 323.443 2.504 40 0 DFABLO COC[C@@H]1CN(Cc2ccccc2Cl)Cc2[nH+]cn(C)c21 ZINC000096068611 426394449 /nfs/dbraw/zinc/39/44/49/426394449.db2.gz GNHUUNBLRYSAOC-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccccc2Cl)Cc2ncn(C)c21 ZINC000096068611 426394451 /nfs/dbraw/zinc/39/44/51/426394451.db2.gz GNHUUNBLRYSAOC-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccccc2Cl)Cc2ncn(C)c21 ZINC000096068611 426394455 /nfs/dbraw/zinc/39/44/55/426394455.db2.gz GNHUUNBLRYSAOC-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC)nc21 ZINC000096059909 426395297 /nfs/dbraw/zinc/39/52/97/426395297.db2.gz DOHPCHLZPCZFFB-OAHLLOKOSA-N 1 2 303.406 2.940 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC)nc21 ZINC000096059909 426395299 /nfs/dbraw/zinc/39/52/99/426395299.db2.gz DOHPCHLZPCZFFB-OAHLLOKOSA-N 1 2 303.406 2.940 40 0 DFABLO c1coc(C[N@H+]2CCc3c(CNc4nccs4)n[nH]c3C2)c1 ZINC000096084126 426396150 /nfs/dbraw/zinc/39/61/50/426396150.db2.gz BCBLZTGHNQXWKW-UHFFFAOYSA-N 1 2 315.402 2.630 40 0 DFABLO c1coc(C[N@@H+]2CCc3c(CNc4nccs4)n[nH]c3C2)c1 ZINC000096084126 426396151 /nfs/dbraw/zinc/39/61/51/426396151.db2.gz BCBLZTGHNQXWKW-UHFFFAOYSA-N 1 2 315.402 2.630 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2c1cnn2CC1CC1 ZINC000096197909 426405878 /nfs/dbraw/zinc/40/58/78/426405878.db2.gz CHEBEXHKRVUVHF-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2c1cnn2CC1CC1 ZINC000096197909 426405881 /nfs/dbraw/zinc/40/58/81/426405881.db2.gz CHEBEXHKRVUVHF-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1 ZINC000095533514 426374272 /nfs/dbraw/zinc/37/42/72/426374272.db2.gz ZSEWBASXQHOFNK-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533514 426374275 /nfs/dbraw/zinc/37/42/75/426374275.db2.gz ZSEWBASXQHOFNK-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046341 426390610 /nfs/dbraw/zinc/39/06/10/426390610.db2.gz WCTTVKVXNWAAKA-AEGPPILISA-N 1 2 316.430 2.594 40 0 DFABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046341 426390613 /nfs/dbraw/zinc/39/06/13/426390613.db2.gz WCTTVKVXNWAAKA-AEGPPILISA-N 1 2 316.430 2.594 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)co1 ZINC000096042230 426391065 /nfs/dbraw/zinc/39/10/65/426391065.db2.gz NFJYMUVAWBPCNE-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)co1 ZINC000096042230 426391069 /nfs/dbraw/zinc/39/10/69/426391069.db2.gz NFJYMUVAWBPCNE-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CC2=CCCCC2)C1 ZINC000096207692 426407162 /nfs/dbraw/zinc/40/71/62/426407162.db2.gz JTDXKZQZBIUFTH-INIZCTEOSA-N 1 2 317.433 2.769 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247840004 426962716 /nfs/dbraw/zinc/96/27/16/426962716.db2.gz KNTMEBYVITYQBB-QGZVFWFLSA-N 1 2 308.385 2.635 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247840004 426962722 /nfs/dbraw/zinc/96/27/22/426962722.db2.gz KNTMEBYVITYQBB-QGZVFWFLSA-N 1 2 308.385 2.635 40 0 DFABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328981588 427021935 /nfs/dbraw/zinc/02/19/35/427021935.db2.gz GUODHUGDBIYUTA-MRXNPFEDSA-N 1 2 312.417 3.526 40 0 DFABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329060556 427034806 /nfs/dbraw/zinc/03/48/06/427034806.db2.gz WMKSROMSLYFNFF-JTQLQIEISA-N 1 2 318.808 3.544 40 0 DFABLO CCO[C@H]1Cn2nccc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000253387033 427202460 /nfs/dbraw/zinc/20/24/60/427202460.db2.gz YWPNSMBBGZYRTN-GOSISDBHSA-N 1 2 322.412 2.852 40 0 DFABLO CCO[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000253387033 427202464 /nfs/dbraw/zinc/20/24/64/427202464.db2.gz YWPNSMBBGZYRTN-GOSISDBHSA-N 1 2 322.412 2.852 40 0 DFABLO Cc1cc(N2CCC3(CO[C@H](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC000257201350 427308685 /nfs/dbraw/zinc/30/86/85/427308685.db2.gz AHHNMSSCGLKYDO-QGZVFWFLSA-N 1 2 324.428 2.798 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cccc4ncccc43)C2)[nH+]1 ZINC000257219289 427313394 /nfs/dbraw/zinc/31/33/94/427313394.db2.gz DGHYSSZDDKQABT-AWEZNQCLSA-N 1 2 320.396 2.906 40 0 DFABLO Cn1cncc1-c1nccnc1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257218675 427313469 /nfs/dbraw/zinc/31/34/69/427313469.db2.gz DEBNZDIIFWRXBZ-AWEZNQCLSA-N 1 2 320.400 2.656 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257222388 427314541 /nfs/dbraw/zinc/31/45/41/427314541.db2.gz DTCLSZFQAWCZJV-CYBMUJFWSA-N 1 2 317.364 2.642 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c(C)cn2C)no1 ZINC000257230018 427315746 /nfs/dbraw/zinc/31/57/46/427315746.db2.gz GAKCQNVWQYWCBD-CQSZACIVSA-N 1 2 302.378 2.646 40 0 DFABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ncccc2F)cc(N(C)C)n1 ZINC000257226468 427317295 /nfs/dbraw/zinc/31/72/95/427317295.db2.gz FKSNCNUJJUZNJC-MRXNPFEDSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ncccc2F)cc(N(C)C)n1 ZINC000257226468 427317301 /nfs/dbraw/zinc/31/73/01/427317301.db2.gz FKSNCNUJJUZNJC-MRXNPFEDSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1nc(N2CCC3(C[C@@H](Cc4ccccn4)CO3)CC2)cc[nH+]1 ZINC000257230323 427318224 /nfs/dbraw/zinc/31/82/24/427318224.db2.gz GBSYYSFEXHGVKS-MRXNPFEDSA-N 1 2 324.428 2.798 40 0 DFABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257225880 427318742 /nfs/dbraw/zinc/31/87/42/427318742.db2.gz FIFNJMHYSAOCPA-HNNXBMFYSA-N 1 2 321.384 2.718 40 0 DFABLO COc1ncccc1C(=O)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257237129 427322277 /nfs/dbraw/zinc/32/22/77/427322277.db2.gz HFHMGKXJJGTONV-HNNXBMFYSA-N 1 2 322.368 2.715 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)[nH+]1 ZINC000257252000 427324372 /nfs/dbraw/zinc/32/43/72/427324372.db2.gz JTEHYBNOVMYJLF-LBPRGKRZSA-N 1 2 300.362 2.562 40 0 DFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)cc[nH+]1 ZINC000257260635 427327713 /nfs/dbraw/zinc/32/77/13/427327713.db2.gz LDRRUAUEVKRKAV-OAHLLOKOSA-N 1 2 323.462 2.923 40 0 DFABLO CNc1cc([C@H]2CCCN(C(=O)c3scnc3C)C2)cc[nH+]1 ZINC000257286315 427330576 /nfs/dbraw/zinc/33/05/76/427330576.db2.gz PLCGNBRFYVKTEM-ZDUSSCGKSA-N 1 2 316.430 2.908 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257284755 427333623 /nfs/dbraw/zinc/33/36/23/427333623.db2.gz PEDFMRGOHRZCRD-ZDUSSCGKSA-N 1 2 306.373 2.646 40 0 DFABLO CCc1nnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192136572 427488396 /nfs/dbraw/zinc/48/83/96/427488396.db2.gz IWZAXAVWJKYZNO-WFASDCNBSA-N 1 2 309.316 2.530 40 0 DFABLO CC(C)(C)OC(=O)CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000192415378 278371789 /nfs/dbraw/zinc/37/17/89/278371789.db2.gz FWBTUJOBHKEGNU-LBPRGKRZSA-N 1 2 307.394 2.585 40 0 DFABLO CCOC(=O)[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000192948358 323250534 /nfs/dbraw/zinc/25/05/34/323250534.db2.gz IBDMHUYQIGXKOC-UXIGCNINSA-N 1 2 311.809 2.959 40 0 DFABLO CCOc1ccc(-c2n[nH]c([C@H]([NH3+])C(C)C)n2)cc1OCC ZINC000095534810 185379503 /nfs/dbraw/zinc/37/95/03/185379503.db2.gz ZBNCOZLELIVTJU-CQSZACIVSA-N 1 2 304.394 2.925 40 0 DFABLO CC(C)c1nnc([C@H]2C[N@H+](CCc3cccs3)CCO2)[nH]1 ZINC000078892920 185123877 /nfs/dbraw/zinc/12/38/77/185123877.db2.gz NWFCTVZKQCFGFJ-CYBMUJFWSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1nnc([C@H]2C[N@@H+](CCc3cccs3)CCO2)[nH]1 ZINC000078892920 185123879 /nfs/dbraw/zinc/12/38/79/185123879.db2.gz NWFCTVZKQCFGFJ-CYBMUJFWSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1n[nH]c([C@H]2C[N@H+](CCc3cccs3)CCO2)n1 ZINC000078892920 185123880 /nfs/dbraw/zinc/12/38/80/185123880.db2.gz NWFCTVZKQCFGFJ-CYBMUJFWSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1n[nH]c([C@H]2C[N@@H+](CCc3cccs3)CCO2)n1 ZINC000078892920 185123881 /nfs/dbraw/zinc/12/38/81/185123881.db2.gz NWFCTVZKQCFGFJ-CYBMUJFWSA-N 1 2 306.435 2.606 40 0 DFABLO Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc[nH+]1 ZINC000079001770 185144847 /nfs/dbraw/zinc/14/48/47/185144847.db2.gz YJUFIMCPHBTSSE-AWEZNQCLSA-N 1 2 313.357 2.616 40 0 DFABLO O=C(C1CC1)N1CCC2(Cc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306125807 231084565 /nfs/dbraw/zinc/08/45/65/231084565.db2.gz DCVWBGGTWAMPSQ-UHFFFAOYSA-N 1 2 322.412 2.520 40 0 DFABLO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000012246336 398385556 /nfs/dbraw/zinc/38/55/56/398385556.db2.gz KFIHFHUAYUNXQY-LBPRGKRZSA-N 1 2 301.419 2.807 40 0 DFABLO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000012246336 398385559 /nfs/dbraw/zinc/38/55/59/398385559.db2.gz KFIHFHUAYUNXQY-LBPRGKRZSA-N 1 2 301.419 2.807 40 0 DFABLO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1cccc(F)c1 ZINC000585275164 398438444 /nfs/dbraw/zinc/43/84/44/398438444.db2.gz YQMCLYAVZOJVEU-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1cccc(F)c1 ZINC000585275164 398438446 /nfs/dbraw/zinc/43/84/46/398438446.db2.gz YQMCLYAVZOJVEU-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO Cc1c[nH]c(-c2cnc([C@H]3CCCN3c3cc(C)[nH+]cn3)cn2)n1 ZINC000585178825 398437226 /nfs/dbraw/zinc/43/72/26/398437226.db2.gz GHCMDHWUMPFGRS-OAHLLOKOSA-N 1 2 321.388 2.615 40 0 DFABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072366793 191137778 /nfs/dbraw/zinc/13/77/78/191137778.db2.gz KJKLCIBXWOACBW-CQSZACIVSA-N 1 2 318.808 2.760 40 0 DFABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072366793 191137780 /nfs/dbraw/zinc/13/77/80/191137780.db2.gz KJKLCIBXWOACBW-CQSZACIVSA-N 1 2 318.808 2.760 40 0 DFABLO CCOC(=O)N1CCc2cc(NCc3[nH+]ccn3C)ccc21 ZINC000080195241 192011901 /nfs/dbraw/zinc/01/19/01/192011901.db2.gz XHTGVSMVANQGBI-UHFFFAOYSA-N 1 2 300.362 2.551 40 0 DFABLO CN(C)C(=O)c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000080970277 192207140 /nfs/dbraw/zinc/20/71/40/192207140.db2.gz DGMBOVZCRJTYAM-UHFFFAOYSA-N 1 2 323.400 2.704 40 0 DFABLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)ccc1Br ZINC000078953855 399003149 /nfs/dbraw/zinc/00/31/49/399003149.db2.gz YCEYQEQFQNKQML-UHFFFAOYSA-N 1 2 323.194 2.768 40 0 DFABLO O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1cscn1 ZINC000078987341 399005227 /nfs/dbraw/zinc/00/52/27/399005227.db2.gz GMXTXVRXEKLEIG-JKSUJKDBSA-N 1 2 324.409 2.998 40 0 DFABLO Cc1cc(CC2CCN(S(=O)(=O)C3CCCC3)CC2)cc[nH+]1 ZINC000257304329 203029204 /nfs/dbraw/zinc/02/92/04/203029204.db2.gz SLBRLCMRQHQKMM-UHFFFAOYSA-N 1 2 322.474 2.917 40 0 DFABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257277722 203006342 /nfs/dbraw/zinc/00/63/42/203006342.db2.gz NZCXPGUSIOTYHN-INIZCTEOSA-N 1 2 320.396 2.944 40 0 DFABLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)no1 ZINC000257283319 203010849 /nfs/dbraw/zinc/01/08/49/203010849.db2.gz OXUARDJHLFXDJF-IRXDYDNUSA-N 1 2 320.364 2.526 40 0 DFABLO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)no1 ZINC000257283319 203010852 /nfs/dbraw/zinc/01/08/52/203010852.db2.gz OXUARDJHLFXDJF-IRXDYDNUSA-N 1 2 320.364 2.526 40 0 DFABLO Cc1nn(C)cc1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257287915 203014081 /nfs/dbraw/zinc/01/40/81/203014081.db2.gz PRYYFQVLBNEHDH-UHFFFAOYSA-N 1 2 312.417 2.527 40 0 DFABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257287676 203014378 /nfs/dbraw/zinc/01/43/78/203014378.db2.gz PRAVTBKBBWLHGL-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257287676 203014381 /nfs/dbraw/zinc/01/43/81/203014381.db2.gz PRAVTBKBBWLHGL-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257291203 203017925 /nfs/dbraw/zinc/01/79/25/203017925.db2.gz QGCCALVWZNFQKJ-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257291203 203017929 /nfs/dbraw/zinc/01/79/29/203017929.db2.gz QGCCALVWZNFQKJ-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)COc3ccccc3Cl)C2)[nH+]1 ZINC000257294499 203019887 /nfs/dbraw/zinc/01/98/87/203019887.db2.gz QULFBMQQQYPTCX-GFCCVEGCSA-N 1 2 319.792 2.766 40 0 DFABLO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192015600 399173364 /nfs/dbraw/zinc/17/33/64/399173364.db2.gz IJECNTWANJGJDV-KRWDZBQOSA-N 1 2 301.365 2.561 40 0 DFABLO CC[NH+](CC)Cc1c(O)nc(SCc2ccccc2)[nH]c1=O ZINC000019144973 182105916 /nfs/dbraw/zinc/10/59/16/182105916.db2.gz VGIAIQTWKINIRA-UHFFFAOYSA-N 1 2 319.430 2.610 40 0 DFABLO Cc1nn(C)cc1-c1c[nH+]cn1Cc1ccc2c(c1)CCCO2 ZINC000019719471 182137661 /nfs/dbraw/zinc/13/76/61/182137661.db2.gz XTVKVTRKVJSDCC-UHFFFAOYSA-N 1 2 308.385 2.965 40 0 DFABLO COC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000042205993 183242292 /nfs/dbraw/zinc/24/22/92/183242292.db2.gz AEEHPLQMKPWLTR-UHFFFAOYSA-N 1 2 312.207 2.834 40 0 DFABLO O=C(NCCOc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058974040 184132995 /nfs/dbraw/zinc/13/29/95/184132995.db2.gz FBKRNZONJITHAD-UHFFFAOYSA-N 1 2 321.380 2.740 40 0 DFABLO COc1ccc(S[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000054852323 542451348 /nfs/dbraw/zinc/45/13/48/542451348.db2.gz FSWKGLBGRFKZGD-CYBMUJFWSA-N 1 2 319.430 2.579 40 0 DFABLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cn2ccccc2n1 ZINC000083884473 542504754 /nfs/dbraw/zinc/50/47/54/542504754.db2.gz DKEINZADBPCOBJ-BPUTZDHNSA-N 1 2 313.401 2.640 40 0 DFABLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cn2ccccc2n1 ZINC000083884473 542504757 /nfs/dbraw/zinc/50/47/57/542504757.db2.gz DKEINZADBPCOBJ-BPUTZDHNSA-N 1 2 313.401 2.640 40 0 DFABLO Cc1ccccc1CSCC(=O)NCCCn1cc[nH+]c1 ZINC000408564315 257229592 /nfs/dbraw/zinc/22/95/92/257229592.db2.gz VOZNROZNQAXZKZ-UHFFFAOYSA-N 1 2 303.431 2.631 40 0 DFABLO CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000054009287 425889037 /nfs/dbraw/zinc/88/90/37/425889037.db2.gz YZLVROXGPNZEMJ-OAHLLOKOSA-N 1 2 316.405 2.570 40 0 DFABLO CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000054009286 425889130 /nfs/dbraw/zinc/88/91/30/425889130.db2.gz YZLVROXGPNZEMJ-HNNXBMFYSA-N 1 2 316.405 2.570 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000012145825 425719906 /nfs/dbraw/zinc/71/99/06/425719906.db2.gz JIKZIMSWAMFWRG-CYBMUJFWSA-N 1 2 312.417 2.551 40 0 DFABLO Cc1ccc(C(C)C)c(OCC(=O)NCCCn2cc[nH+]c2)c1 ZINC000045162381 425860207 /nfs/dbraw/zinc/86/02/07/425860207.db2.gz KSCQZROKCOTLOL-UHFFFAOYSA-N 1 2 315.417 2.900 40 0 DFABLO COCCc1nc(Nc2ccc(Br)cc2)cc(N)[nH+]1 ZINC000049467718 425879290 /nfs/dbraw/zinc/87/92/90/425879290.db2.gz GOHWGANAOQUGFJ-UHFFFAOYSA-N 1 2 323.194 2.754 40 0 DFABLO COCCc1nc(N)cc(Nc2ccc(Br)cc2)[nH+]1 ZINC000049467718 425879291 /nfs/dbraw/zinc/87/92/91/425879291.db2.gz GOHWGANAOQUGFJ-UHFFFAOYSA-N 1 2 323.194 2.754 40 0 DFABLO CCC[N@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000070980143 425980580 /nfs/dbraw/zinc/98/05/80/425980580.db2.gz QZYAQYKVNSKLBL-ZDUSSCGKSA-N 1 2 301.839 2.739 40 0 DFABLO CCC[N@@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000070980143 425980581 /nfs/dbraw/zinc/98/05/81/425980581.db2.gz QZYAQYKVNSKLBL-ZDUSSCGKSA-N 1 2 301.839 2.739 40 0 DFABLO Cc1ccsc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129998243 426143820 /nfs/dbraw/zinc/14/38/20/426143820.db2.gz VZJWAPCWMOTCBS-ZDUSSCGKSA-N 1 2 301.415 2.850 40 0 DFABLO Cc1ccc2cc(C3N4CC5(C)C[NH+]3CC(C)(C4)C5)c(=O)[nH]c2c1 ZINC000079190980 426190789 /nfs/dbraw/zinc/19/07/89/426190789.db2.gz NZOCODOONRQUTF-UHFFFAOYSA-N 1 2 323.440 2.883 40 0 DFABLO Cc1noc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079502899 426195025 /nfs/dbraw/zinc/19/50/25/426195025.db2.gz CASVSVXZYTUPOX-INIZCTEOSA-N 1 2 301.390 2.602 40 0 DFABLO Cc1noc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000079502899 426195028 /nfs/dbraw/zinc/19/50/28/426195028.db2.gz CASVSVXZYTUPOX-INIZCTEOSA-N 1 2 301.390 2.602 40 0 DFABLO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](O)C[C@@H]1C(=O)OC(C)(C)C ZINC000083291885 426230135 /nfs/dbraw/zinc/23/01/35/426230135.db2.gz LWSAOYIERWPQNY-CWRNSKLLSA-N 1 2 305.418 2.915 40 0 DFABLO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](O)C[C@@H]1C(=O)OC(C)(C)C ZINC000083291885 426230137 /nfs/dbraw/zinc/23/01/37/426230137.db2.gz LWSAOYIERWPQNY-CWRNSKLLSA-N 1 2 305.418 2.915 40 0 DFABLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc2c(c1)OCCO2 ZINC000084651788 426242646 /nfs/dbraw/zinc/24/26/46/426242646.db2.gz QNRKODYSFBRMIM-LBPRGKRZSA-N 1 2 323.352 2.597 40 0 DFABLO c1cnc(N2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)nc1 ZINC000096081935 426396717 /nfs/dbraw/zinc/39/67/17/426396717.db2.gz MQNYOAMWQMYPGW-ARFHVFGLSA-N 1 2 309.417 2.836 40 0 DFABLO c1cc(C[N@H+]2CCc3c(CNc4ncccn4)cncc3C2)co1 ZINC000096189528 426404744 /nfs/dbraw/zinc/40/47/44/426404744.db2.gz MCGWZZWTZFGQOK-UHFFFAOYSA-N 1 2 321.384 2.635 40 0 DFABLO c1cc(C[N@@H+]2CCc3c(CNc4ncccn4)cncc3C2)co1 ZINC000096189528 426404746 /nfs/dbraw/zinc/40/47/46/426404746.db2.gz MCGWZZWTZFGQOK-UHFFFAOYSA-N 1 2 321.384 2.635 40 0 DFABLO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3csc(C)n3)O2)o1 ZINC000096040913 426390360 /nfs/dbraw/zinc/39/03/60/426390360.db2.gz AUGBPZLAKHJQCJ-MCIONIFRSA-N 1 2 320.418 2.638 40 0 DFABLO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3csc(C)n3)O2)o1 ZINC000096040913 426390361 /nfs/dbraw/zinc/39/03/61/426390361.db2.gz AUGBPZLAKHJQCJ-MCIONIFRSA-N 1 2 320.418 2.638 40 0 DFABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)no1 ZINC000096046053 426390537 /nfs/dbraw/zinc/39/05/37/426390537.db2.gz VSULSUYAFJRQMP-IACUBPJLSA-N 1 2 305.403 2.792 40 0 DFABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)no1 ZINC000096046053 426390541 /nfs/dbraw/zinc/39/05/41/426390541.db2.gz VSULSUYAFJRQMP-IACUBPJLSA-N 1 2 305.403 2.792 40 0 DFABLO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)co1 ZINC000097954097 426475826 /nfs/dbraw/zinc/47/58/26/426475826.db2.gz BTOLSDAYMMHSTF-YESZJQIVSA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)co1 ZINC000097954097 426475828 /nfs/dbraw/zinc/47/58/28/426475828.db2.gz BTOLSDAYMMHSTF-YESZJQIVSA-N 1 2 314.385 2.733 40 0 DFABLO C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CCCC2)c2ccccn21 ZINC000306129976 426914343 /nfs/dbraw/zinc/91/43/43/426914343.db2.gz ITAGXQJGXBIPQU-OAHLLOKOSA-N 1 2 312.417 2.773 40 0 DFABLO C[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CCCC2)c2ccccn21 ZINC000306129976 426914351 /nfs/dbraw/zinc/91/43/51/426914351.db2.gz ITAGXQJGXBIPQU-OAHLLOKOSA-N 1 2 312.417 2.773 40 0 DFABLO CNc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328979985 427019273 /nfs/dbraw/zinc/01/92/73/427019273.db2.gz GJUPJNAKFHLGFU-UHFFFAOYSA-N 1 2 304.397 2.684 40 0 DFABLO OCCNc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329059638 427033584 /nfs/dbraw/zinc/03/35/84/427033584.db2.gz WIMFABFEVFQEBT-UHFFFAOYSA-N 1 2 304.781 3.155 40 0 DFABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(F)c1 ZINC000329063376 427036141 /nfs/dbraw/zinc/03/61/41/427036141.db2.gz XDQVMBMPXHJOQB-UHFFFAOYSA-N 1 2 302.328 2.794 40 0 DFABLO Fc1cccnc1C[N@@H+]1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257200897 427308806 /nfs/dbraw/zinc/30/88/06/427308806.db2.gz AFHDZWDWWNWNAL-MRXNPFEDSA-N 1 2 311.364 2.991 40 0 DFABLO Fc1cccnc1C[N@H+]1CCCC[C@@H]1c1ccn2ccnc2n1 ZINC000257200897 427308813 /nfs/dbraw/zinc/30/88/13/427308813.db2.gz AFHDZWDWWNWNAL-MRXNPFEDSA-N 1 2 311.364 2.991 40 0 DFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)C2CCCC2)cc[nH+]1 ZINC000257208298 427309015 /nfs/dbraw/zinc/30/90/15/427309015.db2.gz BLNMSWCHONIVGF-AWEZNQCLSA-N 1 2 309.435 2.533 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257214817 427312416 /nfs/dbraw/zinc/31/24/16/427312416.db2.gz CNNOBDZDPZTERU-CQSZACIVSA-N 1 2 323.400 2.694 40 0 DFABLO c1cc([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257227755 427317845 /nfs/dbraw/zinc/31/78/45/427317845.db2.gz FQSSEGKQPSYMOK-MRXNPFEDSA-N 1 2 305.385 2.856 40 0 DFABLO c1cc([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257227755 427317850 /nfs/dbraw/zinc/31/78/50/427317850.db2.gz FQSSEGKQPSYMOK-MRXNPFEDSA-N 1 2 305.385 2.856 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)cc[nH+]1 ZINC000257238358 427320956 /nfs/dbraw/zinc/32/09/56/427320956.db2.gz HKPNTINSXIBRHC-HNNXBMFYSA-N 1 2 314.389 2.634 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)no1 ZINC000257242045 427322342 /nfs/dbraw/zinc/32/23/42/427322342.db2.gz IAVHIUOVLFTKDY-LBPRGKRZSA-N 1 2 302.378 2.678 40 0 DFABLO CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(C)cn3)C2)cn1 ZINC000257248392 427324115 /nfs/dbraw/zinc/32/41/15/427324115.db2.gz JDLKSPGZJYDLHA-KRWDZBQOSA-N 1 2 300.406 2.570 40 0 DFABLO CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(C)cn3)C2)cn1 ZINC000257248392 427324121 /nfs/dbraw/zinc/32/41/21/427324121.db2.gz JDLKSPGZJYDLHA-KRWDZBQOSA-N 1 2 300.406 2.570 40 0 DFABLO CCCCc1[nH]c(CN2CCC[C@H]2c2cncc(NC)n2)c[nH+]1 ZINC000257257573 427324503 /nfs/dbraw/zinc/32/45/03/427324503.db2.gz KQFIFMLYJAJSJU-HNNXBMFYSA-N 1 2 314.437 2.921 40 0 DFABLO CCCCc1[nH]cc(CN2CCC[C@H]2c2cncc(NC)n2)[nH+]1 ZINC000257257573 427324510 /nfs/dbraw/zinc/32/45/10/427324510.db2.gz KQFIFMLYJAJSJU-HNNXBMFYSA-N 1 2 314.437 2.921 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccncc2)cc[nH+]1 ZINC000257258108 427328660 /nfs/dbraw/zinc/32/86/60/427328660.db2.gz KSKRODLVISOOJN-APHBUQMISA-N 1 2 308.385 2.895 40 0 DFABLO CCCCc1[nH]c(CN2CCCC[C@@H]2c2ccnc(N)n2)c[nH+]1 ZINC000257262782 427329428 /nfs/dbraw/zinc/32/94/28/427329428.db2.gz LMWSAKSGWFRRHZ-OAHLLOKOSA-N 1 2 314.437 2.852 40 0 DFABLO CCCCc1[nH]cc(CN2CCCC[C@@H]2c2ccnc(N)n2)[nH+]1 ZINC000257262782 427329436 /nfs/dbraw/zinc/32/94/36/427329436.db2.gz LMWSAKSGWFRRHZ-OAHLLOKOSA-N 1 2 314.437 2.852 40 0 DFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257291202 427331775 /nfs/dbraw/zinc/33/17/75/427331775.db2.gz QGCCALVWZNFQKJ-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257291202 427331780 /nfs/dbraw/zinc/33/17/80/427331780.db2.gz QGCCALVWZNFQKJ-INIZCTEOSA-N 1 2 316.430 2.511 40 0 DFABLO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192577659 427565700 /nfs/dbraw/zinc/56/57/00/427565700.db2.gz HOPJZPWRIFIZAS-UONOGXRCSA-N 1 2 315.421 2.648 40 0 DFABLO CC(C)c1ncc(C[NH+]2CCN(Cc3cccnc3)CC2)s1 ZINC000195561853 323284553 /nfs/dbraw/zinc/28/45/53/323284553.db2.gz FOFIROQCSGQLTM-UHFFFAOYSA-N 1 2 316.474 2.979 40 0 DFABLO CCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cn1 ZINC000248088272 341373113 /nfs/dbraw/zinc/37/31/13/341373113.db2.gz LVILTHVWZVEEJY-IRXDYDNUSA-N 1 2 322.412 2.582 40 0 DFABLO CCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cn1 ZINC000248088272 341373114 /nfs/dbraw/zinc/37/31/14/341373114.db2.gz LVILTHVWZVEEJY-IRXDYDNUSA-N 1 2 322.412 2.582 40 0 DFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000248205455 341374773 /nfs/dbraw/zinc/37/47/73/341374773.db2.gz ZXLVXWKCINQVTC-IRXDYDNUSA-N 1 2 322.412 2.664 40 0 DFABLO CCCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 ZINC000248205455 341374774 /nfs/dbraw/zinc/37/47/74/341374774.db2.gz ZXLVXWKCINQVTC-IRXDYDNUSA-N 1 2 322.412 2.664 40 0 DFABLO O=S(=O)(Nc1cc[nH+]cc1)c1ccccc1Br ZINC000037385855 527255392 /nfs/dbraw/zinc/25/53/92/527255392.db2.gz ALTIFBVYMHZSIC-UHFFFAOYSA-N 1 2 313.176 2.645 40 0 DFABLO CCNc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000328958427 527996682 /nfs/dbraw/zinc/99/66/82/527996682.db2.gz ANYNYEAYQDIPDE-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1OC ZINC000095534896 185378989 /nfs/dbraw/zinc/37/89/89/185378989.db2.gz XHVWIQOGJHLXIH-CQSZACIVSA-N 1 2 324.384 2.731 40 0 DFABLO O=[S@@](Cc1[nH+]ccn1Cc1ccccc1)c1ccc(O)cc1 ZINC000078953776 185135198 /nfs/dbraw/zinc/13/51/98/185135198.db2.gz OZSWKMMOAICNTI-JOCHJYFZSA-N 1 2 312.394 2.945 40 0 DFABLO COc1ccc(Cl)cc1NC(=O)CCNc1cc[nH+]c(C)n1 ZINC000078988867 185141560 /nfs/dbraw/zinc/14/15/60/185141560.db2.gz IRXGBMBSKJGXBD-UHFFFAOYSA-N 1 2 320.780 2.888 40 0 DFABLO COc1cccc(C2(C[NH2+][C@H]3C[C@@H](C)OC3=O)CCCC2)c1 ZINC000079030790 185147488 /nfs/dbraw/zinc/14/74/88/185147488.db2.gz QDGDMIXRMLOLDS-CJNGLKHVSA-N 1 2 303.402 2.801 40 0 DFABLO COc1cccc(C2(C[NH2+][C@H]3C[C@H](C)OC3=O)CCCC2)c1 ZINC000079030793 185147621 /nfs/dbraw/zinc/14/76/21/185147621.db2.gz QDGDMIXRMLOLDS-BBRMVZONSA-N 1 2 303.402 2.801 40 0 DFABLO c1coc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ccccn2)c1 ZINC000585102612 398432018 /nfs/dbraw/zinc/43/20/18/398432018.db2.gz CBGVOZOFNBDZGL-HNNXBMFYSA-N 1 2 314.385 2.735 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccnc2OC)cc[nH+]1 ZINC000257297216 203020763 /nfs/dbraw/zinc/02/07/63/203020763.db2.gz RGJDHQAGOYXXIX-AWEZNQCLSA-N 1 2 312.373 2.504 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257317537 203040185 /nfs/dbraw/zinc/04/01/85/203040185.db2.gz VKEASJYZZVEOFM-GFCCVEGCSA-N 1 2 309.373 2.614 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)[C@H](c2ccccc2)C1 ZINC000257338107 203059466 /nfs/dbraw/zinc/05/94/66/203059466.db2.gz YVWFMJBINSPAPU-IBGZPJMESA-N 1 2 309.413 2.795 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)[C@H](c2ccccc2)C1 ZINC000257338107 203059469 /nfs/dbraw/zinc/05/94/69/203059469.db2.gz YVWFMJBINSPAPU-IBGZPJMESA-N 1 2 309.413 2.795 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)[C@@H](c2ccccc2)C1 ZINC000257338108 203059672 /nfs/dbraw/zinc/05/96/72/203059672.db2.gz YVWFMJBINSPAPU-LJQANCHMSA-N 1 2 309.413 2.795 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)[C@@H](c2ccccc2)C1 ZINC000257338108 203059675 /nfs/dbraw/zinc/05/96/75/203059675.db2.gz YVWFMJBINSPAPU-LJQANCHMSA-N 1 2 309.413 2.795 40 0 DFABLO Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257342917 203064317 /nfs/dbraw/zinc/06/43/17/203064317.db2.gz ZQPDMCITHCWGHM-CQSZACIVSA-N 1 2 314.389 2.730 40 0 DFABLO C[NH+]1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)c2)CC1 ZINC000041127527 183169734 /nfs/dbraw/zinc/16/97/34/183169734.db2.gz BCTAWSMYKOBBFQ-UHFFFAOYSA-N 1 2 321.380 2.882 40 0 DFABLO Cn1c2c([nH+]c1C1CC1)CN(Cc1cn3ccsc3n1)CC2 ZINC000084310911 542507541 /nfs/dbraw/zinc/50/75/41/542507541.db2.gz PBZNEHBKAZPRLE-UHFFFAOYSA-N 1 2 313.430 2.565 40 0 DFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000084290464 542507748 /nfs/dbraw/zinc/50/77/48/542507748.db2.gz NOWRKTGEMZRVRU-KGLIPLIRSA-N 1 2 309.369 2.858 40 0 DFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000084290463 542507942 /nfs/dbraw/zinc/50/79/42/542507942.db2.gz NOWRKTGEMZRVRU-ZIAGYGMSSA-N 1 2 309.369 2.858 40 0 DFABLO CC[N@H+](CC(=O)OCC1(C)COC1)Cc1ccc(Cl)cc1 ZINC000084777455 542514985 /nfs/dbraw/zinc/51/49/85/542514985.db2.gz UNTFTDDFDSVHHA-UHFFFAOYSA-N 1 2 311.809 2.742 40 0 DFABLO CC[N@@H+](CC(=O)OCC1(C)COC1)Cc1ccc(Cl)cc1 ZINC000084777455 542514988 /nfs/dbraw/zinc/51/49/88/542514988.db2.gz UNTFTDDFDSVHHA-UHFFFAOYSA-N 1 2 311.809 2.742 40 0 DFABLO CCOC1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000084801108 542514718 /nfs/dbraw/zinc/51/47/18/542514718.db2.gz PWQSNJGUEGJTQA-UHFFFAOYSA-N 1 2 305.353 2.877 40 0 DFABLO OC[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000070453345 257128415 /nfs/dbraw/zinc/12/84/15/257128415.db2.gz GBDCNFJDVVOMOJ-LJQANCHMSA-N 1 2 313.397 2.631 40 0 DFABLO Cc1cc(C)cc(CSCC(=O)NCCCn2cc[nH+]c2)c1 ZINC000408564612 257229948 /nfs/dbraw/zinc/22/99/48/257229948.db2.gz YUNPRHXDBUAETJ-UHFFFAOYSA-N 1 2 317.458 2.940 40 0 DFABLO CCN(CC)c1ccc(CNc2ncnc3onc(C)c32)c[nH+]1 ZINC000195509164 542865350 /nfs/dbraw/zinc/86/53/50/542865350.db2.gz AGPAIOPPYHJHKS-UHFFFAOYSA-N 1 2 312.377 2.780 40 0 DFABLO COCC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369738 425896549 /nfs/dbraw/zinc/89/65/49/425896549.db2.gz RGDGJMJVHWEICB-ZBFHGGJFSA-N 1 2 301.415 2.701 40 0 DFABLO CCc1[nH+]c2cc(NC(=O)c3cnc(C)nc3C)ccc2n1C ZINC000012147375 425719988 /nfs/dbraw/zinc/71/99/88/425719988.db2.gz ASUPYGQWNQLHME-UHFFFAOYSA-N 1 2 309.373 2.795 40 0 DFABLO CC(C)N1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676387 425794278 /nfs/dbraw/zinc/79/42/78/425794278.db2.gz SYJCVATZYZQRSN-UHFFFAOYSA-N 1 2 324.432 2.668 40 0 DFABLO Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccco3)CC2)o1 ZINC000072342256 426015401 /nfs/dbraw/zinc/01/54/01/426015401.db2.gz HWCUTBLEDWQMGZ-UHFFFAOYSA-N 1 2 300.358 2.587 40 0 DFABLO Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccco3)CC2)o1 ZINC000072342256 426015405 /nfs/dbraw/zinc/01/54/05/426015405.db2.gz HWCUTBLEDWQMGZ-UHFFFAOYSA-N 1 2 300.358 2.587 40 0 DFABLO CC(C)(C)n1nc(COCc2ccccc2)c2c1nc[nH+]c2N ZINC000075629427 426079972 /nfs/dbraw/zinc/07/99/72/426079972.db2.gz IOXQKXBQYJDVAU-UHFFFAOYSA-N 1 2 311.389 2.880 40 0 DFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000079722124 426201638 /nfs/dbraw/zinc/20/16/38/426201638.db2.gz FZFXHQWSZCWYQU-CQSZACIVSA-N 1 2 311.385 2.677 40 0 DFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1ccco1)C2 ZINC000096060235 426394567 /nfs/dbraw/zinc/39/45/67/426394567.db2.gz PDYBYYWLRJHOHV-CQSZACIVSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096060235 426394571 /nfs/dbraw/zinc/39/45/71/426394571.db2.gz PDYBYYWLRJHOHV-CQSZACIVSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096060235 426394576 /nfs/dbraw/zinc/39/45/76/426394576.db2.gz PDYBYYWLRJHOHV-CQSZACIVSA-N 1 2 301.390 2.539 40 0 DFABLO c1cc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)co1 ZINC000096059015 426395323 /nfs/dbraw/zinc/39/53/23/426395323.db2.gz VAVFSAZXWICILZ-UHFFFAOYSA-N 1 2 301.390 2.809 40 0 DFABLO c1cc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)co1 ZINC000096059015 426395327 /nfs/dbraw/zinc/39/53/27/426395327.db2.gz VAVFSAZXWICILZ-UHFFFAOYSA-N 1 2 301.390 2.809 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2c1cnn2CC1CC1 ZINC000096197913 426406825 /nfs/dbraw/zinc/40/68/25/426406825.db2.gz USCZLYQMDWINKF-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2c1cnn2CC1CC1 ZINC000096197913 426406829 /nfs/dbraw/zinc/40/68/29/426406829.db2.gz USCZLYQMDWINKF-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1CN(Cc2cccc(Cl)c2)Cc2[nH+]cn(C)c21 ZINC000096044783 426391655 /nfs/dbraw/zinc/39/16/55/426391655.db2.gz GCBWJVJDJVMFHE-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@H]1C[N@H+](Cc2cccc(Cl)c2)Cc2ncn(C)c21 ZINC000096044783 426391656 /nfs/dbraw/zinc/39/16/56/426391656.db2.gz GCBWJVJDJVMFHE-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)Cc2ncn(C)c21 ZINC000096044783 426391658 /nfs/dbraw/zinc/39/16/58/426391658.db2.gz GCBWJVJDJVMFHE-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO O=C(NCCCc1ccco1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225042007 426594627 /nfs/dbraw/zinc/59/46/27/426594627.db2.gz DSROLPXYZQJHJV-UHFFFAOYSA-N 1 2 309.369 2.887 40 0 DFABLO Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306131558 426913368 /nfs/dbraw/zinc/91/33/68/426913368.db2.gz KIPXNUSOCUTRTN-HOCLYGCPSA-N 1 2 319.451 2.812 40 0 DFABLO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306131558 426913375 /nfs/dbraw/zinc/91/33/75/426913375.db2.gz KIPXNUSOCUTRTN-HOCLYGCPSA-N 1 2 319.451 2.812 40 0 DFABLO CNc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000328982915 427021597 /nfs/dbraw/zinc/02/15/97/427021597.db2.gz HDSGFGMWGDDNLK-UHFFFAOYSA-N 1 2 308.360 2.780 40 0 DFABLO CNc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329013106 427023952 /nfs/dbraw/zinc/02/39/52/427023952.db2.gz MOUKZYMVUTYRBP-UHFFFAOYSA-N 1 2 324.306 2.882 40 0 DFABLO CCO[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000253387034 427202842 /nfs/dbraw/zinc/20/28/42/427202842.db2.gz YWPNSMBBGZYRTN-SFHVURJKSA-N 1 2 322.412 2.852 40 0 DFABLO CCO[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000253387034 427202849 /nfs/dbraw/zinc/20/28/49/427202849.db2.gz YWPNSMBBGZYRTN-SFHVURJKSA-N 1 2 322.412 2.852 40 0 DFABLO c1cc([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257227754 427316288 /nfs/dbraw/zinc/31/62/88/427316288.db2.gz FQSSEGKQPSYMOK-INIZCTEOSA-N 1 2 305.385 2.856 40 0 DFABLO c1cc([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH]n1 ZINC000257227754 427316295 /nfs/dbraw/zinc/31/62/95/427316295.db2.gz FQSSEGKQPSYMOK-INIZCTEOSA-N 1 2 305.385 2.856 40 0 DFABLO c1ccc(N2CCCC2)c(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257222562 427317495 /nfs/dbraw/zinc/31/74/95/427317495.db2.gz DTSWIRLYWNWFPC-LJQANCHMSA-N 1 2 324.428 2.650 40 0 DFABLO c1ccc(N2CCCC2)c(C[N@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257222562 427317500 /nfs/dbraw/zinc/31/75/00/427317500.db2.gz DTSWIRLYWNWFPC-LJQANCHMSA-N 1 2 324.428 2.650 40 0 DFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)on1 ZINC000257237784 427321027 /nfs/dbraw/zinc/32/10/27/427321027.db2.gz HIELAXDDDRBDRS-OAHLLOKOSA-N 1 2 322.368 2.831 40 0 DFABLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cncc(N(C)C)n2)cs1 ZINC000257260947 427327019 /nfs/dbraw/zinc/32/70/19/427327019.db2.gz LFEFCFNQYQBTGC-CQSZACIVSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cncc(N(C)C)n2)cs1 ZINC000257260947 427327025 /nfs/dbraw/zinc/32/70/25/427327025.db2.gz LFEFCFNQYQBTGC-CQSZACIVSA-N 1 2 303.435 2.645 40 0 DFABLO CCCCc1[nH]c(CN2CCCC[C@H]2c2ccnc(N)n2)c[nH+]1 ZINC000257262781 427328258 /nfs/dbraw/zinc/32/82/58/427328258.db2.gz LMWSAKSGWFRRHZ-HNNXBMFYSA-N 1 2 314.437 2.852 40 0 DFABLO CCCCc1[nH]cc(CN2CCCC[C@H]2c2ccnc(N)n2)[nH+]1 ZINC000257262781 427328265 /nfs/dbraw/zinc/32/82/65/427328265.db2.gz LMWSAKSGWFRRHZ-HNNXBMFYSA-N 1 2 314.437 2.852 40 0 DFABLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000191959387 427453455 /nfs/dbraw/zinc/45/34/55/427453455.db2.gz DWDRPPDJKHRCIL-ZDUSSCGKSA-N 1 2 309.410 2.678 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257244517 301024234 /nfs/dbraw/zinc/02/42/34/301024234.db2.gz ILSPEFYKIFLLNZ-ZDUSSCGKSA-N 1 2 305.765 2.585 40 0 DFABLO CC(C)c1cccc(NC(=O)C[N@H+](C)C2CCS(=O)CC2)c1 ZINC000079462973 337375262 /nfs/dbraw/zinc/37/52/62/337375262.db2.gz GHMRDWJYQUHFMV-UHFFFAOYSA-N 1 2 322.474 2.591 40 0 DFABLO CC(C)c1cccc(NC(=O)C[N@@H+](C)C2CCS(=O)CC2)c1 ZINC000079462973 337375263 /nfs/dbraw/zinc/37/52/63/337375263.db2.gz GHMRDWJYQUHFMV-UHFFFAOYSA-N 1 2 322.474 2.591 40 0 DFABLO CCOc1ccc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1OCC ZINC000095534591 185379514 /nfs/dbraw/zinc/37/95/14/185379514.db2.gz IMCSPXZSPWSIMS-CQSZACIVSA-N 1 2 318.421 2.948 40 0 DFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000095534591 185379515 /nfs/dbraw/zinc/37/95/15/185379515.db2.gz IMCSPXZSPWSIMS-CQSZACIVSA-N 1 2 318.421 2.948 40 0 DFABLO CSc1nsc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000079055576 185150351 /nfs/dbraw/zinc/15/03/51/185150351.db2.gz FCXRWEFTJFUQTR-UHFFFAOYSA-N 1 2 317.399 2.698 40 0 DFABLO CC(C)(Oc1cccc(Cl)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000079036699 185147988 /nfs/dbraw/zinc/14/79/88/185147988.db2.gz XOOAMIQYRMJCOB-UHFFFAOYSA-N 1 2 321.808 2.900 40 0 DFABLO CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C12CCCCC2 ZINC000081736951 398369227 /nfs/dbraw/zinc/36/92/27/398369227.db2.gz LCNTZUGZBUVLAM-RBSFLKMASA-N 1 2 305.422 2.688 40 0 DFABLO CO[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274938 398438211 /nfs/dbraw/zinc/43/82/11/398438211.db2.gz RXHRTFJDMONPMZ-KRWDZBQOSA-N 1 2 319.380 2.527 40 0 DFABLO CO[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274938 398438217 /nfs/dbraw/zinc/43/82/17/398438217.db2.gz RXHRTFJDMONPMZ-KRWDZBQOSA-N 1 2 319.380 2.527 40 0 DFABLO Cc1nc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(C)c(C)[nH+]1 ZINC000091627833 398538209 /nfs/dbraw/zinc/53/82/09/398538209.db2.gz BOLWNBFCOHPDTL-CQSZACIVSA-N 1 2 312.421 2.712 40 0 DFABLO Cc1nc(N2CCC[C@H](c3nncn3C3CC3)C2)c(C)c(C)[nH+]1 ZINC000091627832 398538257 /nfs/dbraw/zinc/53/82/57/398538257.db2.gz BOLWNBFCOHPDTL-AWEZNQCLSA-N 1 2 312.421 2.712 40 0 DFABLO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1cc(F)ccc1F ZINC000083854150 192387903 /nfs/dbraw/zinc/38/79/03/192387903.db2.gz GSLVLUNEAKXXDO-UHFFFAOYSA-N 1 2 305.328 2.631 40 0 DFABLO Cc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCC(=O)N2CCC(C)C ZINC000072371096 191139549 /nfs/dbraw/zinc/13/95/49/191139549.db2.gz VARXXDABGITYGM-OAHLLOKOSA-N 1 2 316.449 2.877 40 0 DFABLO Cc1nc([C@H]2CCC[N@H+]2C)nc2c1CCC(=O)N2CCC(C)C ZINC000072371096 191139551 /nfs/dbraw/zinc/13/95/51/191139551.db2.gz VARXXDABGITYGM-OAHLLOKOSA-N 1 2 316.449 2.877 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072382652 191142874 /nfs/dbraw/zinc/14/28/74/191142874.db2.gz DIAJSSXMSCPFEY-NSHDSACASA-N 1 2 304.423 2.578 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000072382652 191142876 /nfs/dbraw/zinc/14/28/76/191142876.db2.gz DIAJSSXMSCPFEY-NSHDSACASA-N 1 2 304.423 2.578 40 0 DFABLO CCn1cc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000080634801 192175578 /nfs/dbraw/zinc/17/55/78/192175578.db2.gz BYQRYPVYTBHQDI-CYBMUJFWSA-N 1 2 324.388 2.971 40 0 DFABLO CCCC(=O)N[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080976696 192207734 /nfs/dbraw/zinc/20/77/34/192207734.db2.gz XYQPZXBWIPIWOJ-LBPRGKRZSA-N 1 2 315.339 2.986 40 0 DFABLO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000078890797 398994404 /nfs/dbraw/zinc/99/44/04/398994404.db2.gz DFVOZQBAUJUKPF-LBPRGKRZSA-N 1 2 315.377 2.587 40 0 DFABLO C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000078890797 398994410 /nfs/dbraw/zinc/99/44/10/398994410.db2.gz DFVOZQBAUJUKPF-LBPRGKRZSA-N 1 2 315.377 2.587 40 0 DFABLO CCCCc1ncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)[nH]1 ZINC000257272681 203002508 /nfs/dbraw/zinc/00/25/08/203002508.db2.gz NDKIAVRHSYLOPX-RDJZCZTQSA-N 1 2 307.438 2.522 40 0 DFABLO CCCCc1ncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)[nH]1 ZINC000257272681 203002511 /nfs/dbraw/zinc/00/25/11/203002511.db2.gz NDKIAVRHSYLOPX-RDJZCZTQSA-N 1 2 307.438 2.522 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3cccc4occc43)C2)n1 ZINC000257307212 203032268 /nfs/dbraw/zinc/03/22/68/203032268.db2.gz SXRCNXLWLICUPY-CQSZACIVSA-N 1 2 311.385 2.847 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3cccc4occc43)C2)n1 ZINC000257307212 203032272 /nfs/dbraw/zinc/03/22/72/203032272.db2.gz SXRCNXLWLICUPY-CQSZACIVSA-N 1 2 311.385 2.847 40 0 DFABLO c1ccc([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)nc1 ZINC000257333235 203056485 /nfs/dbraw/zinc/05/64/85/203056485.db2.gz YATYFECZWPQWPK-IBGZPJMESA-N 1 2 308.381 2.931 40 0 DFABLO c1ccc([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)nc1 ZINC000257333235 203056488 /nfs/dbraw/zinc/05/64/88/203056488.db2.gz YATYFECZWPQWPK-IBGZPJMESA-N 1 2 308.381 2.931 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257317538 203041412 /nfs/dbraw/zinc/04/14/12/203041412.db2.gz VKEASJYZZVEOFM-LBPRGKRZSA-N 1 2 309.373 2.614 40 0 DFABLO CNC(=O)c1cc(C)nc([C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000257343602 203064855 /nfs/dbraw/zinc/06/48/55/203064855.db2.gz ZTQYSDTXOGEKSU-LJQANCHMSA-N 1 2 324.428 2.656 40 0 DFABLO CNC(=O)c1cc(C)nc([C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000257343602 203064859 /nfs/dbraw/zinc/06/48/59/203064859.db2.gz ZTQYSDTXOGEKSU-LJQANCHMSA-N 1 2 324.428 2.656 40 0 DFABLO Cc1cnc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)s1 ZINC000257344490 203067225 /nfs/dbraw/zinc/06/72/25/203067225.db2.gz ZXMQCTSTLORWOQ-CQSZACIVSA-N 1 2 318.446 2.834 40 0 DFABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCn1cc[nH+]c1 ZINC000020495015 182224569 /nfs/dbraw/zinc/22/45/69/182224569.db2.gz DRKRCJLCCIIJSB-INIZCTEOSA-N 1 2 315.417 2.864 40 0 DFABLO Cc1ccnc(NC(=O)CN(C)c2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000080977549 542492654 /nfs/dbraw/zinc/49/26/54/542492654.db2.gz BJCGLDOIRGEXCG-UHFFFAOYSA-N 1 2 324.306 2.879 40 0 DFABLO C[C@H](C(=O)NCCn1cccc1)n1cc[nH+]c1-c1ccccc1 ZINC000083967520 542504212 /nfs/dbraw/zinc/50/42/12/542504212.db2.gz IESMPBDLVZBUFQ-OAHLLOKOSA-N 1 2 308.385 2.729 40 0 DFABLO CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000083990502 542505216 /nfs/dbraw/zinc/50/52/16/542505216.db2.gz VYCDRSMJVHPBIA-UONOGXRCSA-N 1 2 308.451 2.514 40 0 DFABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534113 257137235 /nfs/dbraw/zinc/13/72/35/257137235.db2.gz VUULVZFUFWSDOS-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1 ZINC000095534113 257137237 /nfs/dbraw/zinc/13/72/37/257137237.db2.gz VUULVZFUFWSDOS-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534113 257137239 /nfs/dbraw/zinc/13/72/39/257137239.db2.gz VUULVZFUFWSDOS-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329001342 257231289 /nfs/dbraw/zinc/23/12/89/257231289.db2.gz KDMGVPVLWGOYSU-UHFFFAOYSA-N 1 2 302.328 2.794 40 0 DFABLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000012221704 425721929 /nfs/dbraw/zinc/72/19/29/425721929.db2.gz WLWWIOFQCALWNL-AWEZNQCLSA-N 1 2 320.343 2.593 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000013265822 425751625 /nfs/dbraw/zinc/75/16/25/425751625.db2.gz JKFGWZWEHRORRL-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000013265817 425752145 /nfs/dbraw/zinc/75/21/45/425752145.db2.gz WGHKLGQPHOJESB-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO CS(=O)(=O)Nc1ccc(-c2ccc3ccc(N)cc3[nH+]2)cc1 ZINC000026522400 425812983 /nfs/dbraw/zinc/81/29/83/425812983.db2.gz MJKRRURLJKZHRF-UHFFFAOYSA-N 1 2 313.382 2.856 40 0 DFABLO CCc1cccc(NC(=O)Nc2cnc(-n3cc[nH+]c3)nc2)c1 ZINC000085555602 426252003 /nfs/dbraw/zinc/25/20/03/426252003.db2.gz RMQIHUCRAWMOAE-UHFFFAOYSA-N 1 2 308.345 2.869 40 0 DFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1ccco1)C2 ZINC000096060234 426394393 /nfs/dbraw/zinc/39/43/93/426394393.db2.gz PDYBYYWLRJHOHV-AWEZNQCLSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096060234 426394394 /nfs/dbraw/zinc/39/43/94/426394394.db2.gz PDYBYYWLRJHOHV-AWEZNQCLSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096060234 426394398 /nfs/dbraw/zinc/39/43/98/426394398.db2.gz PDYBYYWLRJHOHV-AWEZNQCLSA-N 1 2 301.390 2.539 40 0 DFABLO COC[C@H]1CN(Cc2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060263 426395266 /nfs/dbraw/zinc/39/52/66/426395266.db2.gz MRWFEJFKONQEOI-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2ncn(CC3CC3)c21 ZINC000096060263 426395269 /nfs/dbraw/zinc/39/52/69/426395269.db2.gz MRWFEJFKONQEOI-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2ncn(CC3CC3)c21 ZINC000096060263 426395271 /nfs/dbraw/zinc/39/52/71/426395271.db2.gz MRWFEJFKONQEOI-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2c1cnn2CC1CC1 ZINC000096197914 426406847 /nfs/dbraw/zinc/40/68/47/426406847.db2.gz USCZLYQMDWINKF-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2c1cnn2CC1CC1 ZINC000096197914 426406848 /nfs/dbraw/zinc/40/68/48/426406848.db2.gz USCZLYQMDWINKF-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCN(CC2CC2)c2ncccc2C1 ZINC000096198907 426406363 /nfs/dbraw/zinc/40/63/63/426406363.db2.gz BIVPGTMNMSIEQU-UHFFFAOYSA-N 1 2 312.417 2.919 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCN(CC2CC2)c2ncccc2C1 ZINC000096198907 426406366 /nfs/dbraw/zinc/40/63/66/426406366.db2.gz BIVPGTMNMSIEQU-UHFFFAOYSA-N 1 2 312.417 2.919 40 0 DFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042088 426390995 /nfs/dbraw/zinc/39/09/95/426390995.db2.gz YGYUSVCATDATME-OFQRWUPVSA-N 1 2 308.447 2.610 40 0 DFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 ZINC000096042088 426390999 /nfs/dbraw/zinc/39/09/99/426390999.db2.gz YGYUSVCATDATME-OFQRWUPVSA-N 1 2 308.447 2.610 40 0 DFABLO CC(C)n1nc(Cn2cc[nH+]c2)c2c1CN(Cc1ccoc1)C2 ZINC000096259158 426411480 /nfs/dbraw/zinc/41/14/80/426411480.db2.gz GSLWQIUWGROVHS-UHFFFAOYSA-N 1 2 311.389 2.818 40 0 DFABLO c1sc(N2CCCC2)nc1[C@H]1COCC[N@H+]1CC1CCC1 ZINC000096218049 426407158 /nfs/dbraw/zinc/40/71/58/426407158.db2.gz DKXCYYKBARWRIH-OAHLLOKOSA-N 1 2 307.463 2.917 40 0 DFABLO c1sc(N2CCCC2)nc1[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000096218049 426407159 /nfs/dbraw/zinc/40/71/59/426407159.db2.gz DKXCYYKBARWRIH-OAHLLOKOSA-N 1 2 307.463 2.917 40 0 DFABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000328973215 427017760 /nfs/dbraw/zinc/01/77/60/427017760.db2.gz FAPQZCXQICEFKK-CYBMUJFWSA-N 1 2 312.417 2.567 40 0 DFABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000328973215 427017764 /nfs/dbraw/zinc/01/77/64/427017764.db2.gz FAPQZCXQICEFKK-CYBMUJFWSA-N 1 2 312.417 2.567 40 0 DFABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328979576 427019323 /nfs/dbraw/zinc/01/93/23/427019323.db2.gz GGJGISRPLFRLER-UHFFFAOYSA-N 1 2 324.384 3.459 40 0 DFABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329064674 427035744 /nfs/dbraw/zinc/03/57/44/427035744.db2.gz XLMDQGPYURTUCS-UHFFFAOYSA-N 1 2 311.433 2.947 40 0 DFABLO CC(C)n1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)n1 ZINC000256051962 427304211 /nfs/dbraw/zinc/30/42/11/427304211.db2.gz LHDCAXLCBKPSNT-UHFFFAOYSA-N 1 2 301.316 2.506 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257222137 427312983 /nfs/dbraw/zinc/31/29/83/427312983.db2.gz DSCGUCGZDGTOMT-HNNXBMFYSA-N 1 2 313.401 2.893 40 0 DFABLO Cn1ccnc1-c1cncc(C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257247706 427320477 /nfs/dbraw/zinc/32/04/77/427320477.db2.gz JACLMTPPVQNKJC-UHFFFAOYSA-N 1 2 320.400 2.656 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257235667 427320657 /nfs/dbraw/zinc/32/06/57/427320657.db2.gz GYVMMKOPOOEFPK-CQSZACIVSA-N 1 2 306.369 2.896 40 0 DFABLO O=C(c1ccncc1)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257238186 427321131 /nfs/dbraw/zinc/32/11/31/427321131.db2.gz HJXYAZJKDPRUCN-OAHLLOKOSA-N 1 2 306.369 2.749 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc[nH+]1 ZINC000257253173 427325386 /nfs/dbraw/zinc/32/53/86/427325386.db2.gz JXVIDLMJKYLSFF-OAHLLOKOSA-N 1 2 321.384 2.977 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccccc2C)[nH+]1 ZINC000257255652 427325924 /nfs/dbraw/zinc/32/59/24/427325924.db2.gz KIIOSVWYJCDHCJ-ZDUSSCGKSA-N 1 2 305.403 2.552 40 0 DFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1CSc2ccccc21 ZINC000079025305 289439583 /nfs/dbraw/zinc/43/95/83/289439583.db2.gz LDDRNDWSHLEXNN-CYBMUJFWSA-N 1 2 313.426 3.000 40 0 DFABLO COc1c(C)c[nH+]c(CSc2nnc(N(C)C)s2)c1C ZINC000078818176 185114816 /nfs/dbraw/zinc/11/48/16/185114816.db2.gz AISYVPXSGUNLHA-UHFFFAOYSA-N 1 2 310.448 2.917 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078911123 185127499 /nfs/dbraw/zinc/12/74/99/185127499.db2.gz RMCUWEUAZRVWIF-STQMWFEESA-N 1 2 323.318 2.859 40 0 DFABLO CCOc1nnc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)s1 ZINC000079311735 185164504 /nfs/dbraw/zinc/16/45/04/185164504.db2.gz XUKUYQIGHFVXII-CQSZACIVSA-N 1 2 303.431 2.926 40 0 DFABLO CCOc1nnc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)s1 ZINC000079311735 185164505 /nfs/dbraw/zinc/16/45/05/185164505.db2.gz XUKUYQIGHFVXII-CQSZACIVSA-N 1 2 303.431 2.926 40 0 DFABLO COc1ccc(-c2cnc3n2CC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000306143017 231092370 /nfs/dbraw/zinc/09/23/70/231092370.db2.gz XQZYQSBRYFFCJK-UHFFFAOYSA-N 1 2 320.396 2.970 40 0 DFABLO COc1ccc(-c2cnc3n2CC[N@H+](Cc2ccncc2)C3)cc1 ZINC000306143017 231092372 /nfs/dbraw/zinc/09/23/72/231092372.db2.gz XQZYQSBRYFFCJK-UHFFFAOYSA-N 1 2 320.396 2.970 40 0 DFABLO CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C12CCCCC2 ZINC000081736948 398369172 /nfs/dbraw/zinc/36/91/72/398369172.db2.gz LCNTZUGZBUVLAM-QLFBSQMISA-N 1 2 305.422 2.688 40 0 DFABLO C[NH+]1CCN(C(=O)CSc2cccc3ccccc32)CC1 ZINC000008091769 398369600 /nfs/dbraw/zinc/36/96/00/398369600.db2.gz QHVSKUVSSFEGEA-UHFFFAOYSA-N 1 2 300.427 2.706 40 0 DFABLO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585274847 398438736 /nfs/dbraw/zinc/43/87/36/398438736.db2.gz PJJIEXOAYOSOLE-CRAIPNDOSA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585274847 398438738 /nfs/dbraw/zinc/43/87/38/398438738.db2.gz PJJIEXOAYOSOLE-CRAIPNDOSA-N 1 2 317.408 2.937 40 0 DFABLO CCC[N@@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585112978 398433220 /nfs/dbraw/zinc/43/32/20/398433220.db2.gz XKXJRWWOTRIXBB-STQMWFEESA-N 1 2 305.422 2.561 40 0 DFABLO CCC[N@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585112978 398433223 /nfs/dbraw/zinc/43/32/23/398433223.db2.gz XKXJRWWOTRIXBB-STQMWFEESA-N 1 2 305.422 2.561 40 0 DFABLO Cc1[nH]ncc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000093280563 398627531 /nfs/dbraw/zinc/62/75/31/398627531.db2.gz YLGNUKKKQGWBND-QGZVFWFLSA-N 1 2 303.381 2.803 40 0 DFABLO CNc1cccc([C@@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000072368420 191138099 /nfs/dbraw/zinc/13/80/99/191138099.db2.gz OPOZITYPVVKPDR-LLVKDONJSA-N 1 2 302.403 2.600 40 0 DFABLO C[C@@H]1CCC[N@H+](Cc2nccn2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518493 192277739 /nfs/dbraw/zinc/27/77/39/192277739.db2.gz DAVYTKKMYOFHQI-ZIAGYGMSSA-N 1 2 322.453 2.545 40 0 DFABLO C[C@@H]1CCC[N@@H+](Cc2nccn2C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518493 192277741 /nfs/dbraw/zinc/27/77/41/192277741.db2.gz DAVYTKKMYOFHQI-ZIAGYGMSSA-N 1 2 322.453 2.545 40 0 DFABLO CCn1cc[nH+]c1C[S@](=O)c1cc(OC)c(OC)cc1C ZINC000081527014 192283793 /nfs/dbraw/zinc/28/37/93/192283793.db2.gz FXRFOUMLSSJIBQ-OAQYLSRUSA-N 1 2 308.403 2.536 40 0 DFABLO C[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)n1cc[nH+]c1 ZINC000081740333 192319114 /nfs/dbraw/zinc/31/91/14/192319114.db2.gz XZGDKSFVUBGURK-GFCCVEGCSA-N 1 2 309.329 2.665 40 0 DFABLO Clc1cc(NCC[NH+]2CCOCC2)nc(-c2ccccc2)n1 ZINC000144725588 398907117 /nfs/dbraw/zinc/90/71/17/398907117.db2.gz BETKYIXIJYHAMB-UHFFFAOYSA-N 1 2 318.808 2.541 40 0 DFABLO COc1ccc([C@H]2CN(C(=O)c3cccs3)CC[N@@H+]2C)cc1 ZINC000257282395 203010743 /nfs/dbraw/zinc/01/07/43/203010743.db2.gz OTOVKWDJPLONCX-OAHLLOKOSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccc([C@H]2CN(C(=O)c3cccs3)CC[N@H+]2C)cc1 ZINC000257282395 203010746 /nfs/dbraw/zinc/01/07/46/203010746.db2.gz OTOVKWDJPLONCX-OAHLLOKOSA-N 1 2 316.426 2.886 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257281761 203010900 /nfs/dbraw/zinc/01/09/00/203010900.db2.gz OQWXNHFBOKIVPX-GFCCVEGCSA-N 1 2 304.419 2.513 40 0 DFABLO Cn1ccnc1-c1cncc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257287909 203013064 /nfs/dbraw/zinc/01/30/64/203013064.db2.gz PRYCSHQIQBHVFH-CQSZACIVSA-N 1 2 320.400 2.656 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257336100 203058207 /nfs/dbraw/zinc/05/82/07/203058207.db2.gz YNDRFFGFLFVSHM-ZDUSSCGKSA-N 1 2 316.405 2.545 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)cc[nH+]1 ZINC000257338368 203060182 /nfs/dbraw/zinc/06/01/82/203060182.db2.gz YXBNDWUDTZHQLV-OZSKJFCKSA-N 1 2 322.412 2.920 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257337246 203060487 /nfs/dbraw/zinc/06/04/87/203060487.db2.gz YSACMCGQTYEULD-HNNXBMFYSA-N 1 2 324.388 2.809 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257337246 203060490 /nfs/dbraw/zinc/06/04/90/203060490.db2.gz YSACMCGQTYEULD-HNNXBMFYSA-N 1 2 324.388 2.809 40 0 DFABLO Cc1[nH+]c2ccccn2c1CC(=O)N[C@H]1CCc2ccccc21 ZINC000257337240 203060963 /nfs/dbraw/zinc/06/09/63/203060963.db2.gz YRZPKFNFJZRDSD-INIZCTEOSA-N 1 2 305.381 2.989 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257344935 203066068 /nfs/dbraw/zinc/06/60/68/203066068.db2.gz ZZHWCBLOVOLTPJ-GFCCVEGCSA-N 1 2 314.389 2.605 40 0 DFABLO Clc1cc(NCc2cc[nH]n2)ccc1C[NH+]1CCOCC1 ZINC000195559921 399186659 /nfs/dbraw/zinc/18/66/59/399186659.db2.gz YSDQBSRTMOHXSS-UHFFFAOYSA-N 1 2 306.797 2.507 40 0 DFABLO c1cncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019338758 182116951 /nfs/dbraw/zinc/11/69/51/182116951.db2.gz ASQDERQBHWPSHN-MAUKXSAKSA-N 1 2 321.428 2.734 40 0 DFABLO c1cncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019338758 182116952 /nfs/dbraw/zinc/11/69/52/182116952.db2.gz ASQDERQBHWPSHN-MAUKXSAKSA-N 1 2 321.428 2.734 40 0 DFABLO CS[C@@H]1CCC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000083990508 542505164 /nfs/dbraw/zinc/50/51/64/542505164.db2.gz VYCDRSMJVHPBIA-ZIAGYGMSSA-N 1 2 308.451 2.514 40 0 DFABLO COc1ccc(NCc2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534860 257136305 /nfs/dbraw/zinc/13/63/05/257136305.db2.gz QURKYBLMWHPRDF-MRXNPFEDSA-N 1 2 323.400 2.668 40 0 DFABLO COc1ccc(NCc2nc([C@H]([NH3+])Cc3ccccc3)n[nH]2)cc1 ZINC000095534860 257136306 /nfs/dbraw/zinc/13/63/06/257136306.db2.gz QURKYBLMWHPRDF-MRXNPFEDSA-N 1 2 323.400 2.668 40 0 DFABLO COc1ccc(OCc2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534864 257136863 /nfs/dbraw/zinc/13/68/63/257136863.db2.gz WOYWVNJWNMVJIL-MRXNPFEDSA-N 1 2 324.384 2.635 40 0 DFABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(C)cc3)n2)c1 ZINC000095534121 257137032 /nfs/dbraw/zinc/13/70/32/257137032.db2.gz ZSRRXGSZHYYXBE-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)c1 ZINC000095534121 257137034 /nfs/dbraw/zinc/13/70/34/257137034.db2.gz ZSRRXGSZHYYXBE-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO COc1cccc(NCc2nc([C@H]([NH3+])c3ccc(C)cc3)n[nH]2)c1 ZINC000095534121 257137035 /nfs/dbraw/zinc/13/70/35/257137035.db2.gz ZSRRXGSZHYYXBE-QGZVFWFLSA-N 1 2 323.400 2.782 40 0 DFABLO CC[N@@H+]1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000031961924 285364163 /nfs/dbraw/zinc/36/41/63/285364163.db2.gz MDPIBSWCGDZSOV-RBUKOAKNSA-N 1 2 313.397 2.934 40 0 DFABLO CC[N@H+]1CCO[C@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000031961924 285364167 /nfs/dbraw/zinc/36/41/67/285364167.db2.gz MDPIBSWCGDZSOV-RBUKOAKNSA-N 1 2 313.397 2.934 40 0 DFABLO CC[N@H+](Cc1ccccc1Cl)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575421838 543451892 /nfs/dbraw/zinc/45/18/92/543451892.db2.gz RYULYYPNHVMZMZ-AWEZNQCLSA-N 1 2 301.839 2.739 40 0 DFABLO CC[N@@H+](Cc1ccccc1Cl)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575421838 543451895 /nfs/dbraw/zinc/45/18/95/543451895.db2.gz RYULYYPNHVMZMZ-AWEZNQCLSA-N 1 2 301.839 2.739 40 0 DFABLO O=C(Cc1ccccc1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131085907 196138769 /nfs/dbraw/zinc/13/87/69/196138769.db2.gz ZQPCSVFGFQUGCF-HNNXBMFYSA-N 1 2 313.376 2.548 40 0 DFABLO O=C(Cn1cc[nH+]c1)N[C@@H](Cc1cccs1)c1nccs1 ZINC000012087874 425717526 /nfs/dbraw/zinc/71/75/26/425717526.db2.gz QIWULVLBYHVPLK-LBPRGKRZSA-N 1 2 318.427 2.501 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000012145826 425719171 /nfs/dbraw/zinc/71/91/71/425719171.db2.gz JIKZIMSWAMFWRG-ZDUSSCGKSA-N 1 2 312.417 2.551 40 0 DFABLO C[NH+]1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 ZINC000013687246 425758429 /nfs/dbraw/zinc/75/84/29/425758429.db2.gz AFKTVIBWHHZEER-UHFFFAOYSA-N 1 2 310.397 2.653 40 0 DFABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[NH+](C)CC2)c1 ZINC000045583333 425861744 /nfs/dbraw/zinc/86/17/44/425861744.db2.gz CGCHJTRTGZWPDM-HNNXBMFYSA-N 1 2 304.434 2.660 40 0 DFABLO CCSc1nc(Nc2ccc(OC)cc2OC)cc(N)[nH+]1 ZINC000049467555 425879305 /nfs/dbraw/zinc/87/93/05/425879305.db2.gz PHDSMABBOPKTMZ-UHFFFAOYSA-N 1 2 306.391 2.932 40 0 DFABLO O=C(N[C@@H]1CCc2ccccc2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000078748018 426183243 /nfs/dbraw/zinc/18/32/43/426183243.db2.gz RGOADHAWDVBZTR-QGZVFWFLSA-N 1 2 324.428 2.787 40 0 DFABLO CNC(=O)c1cnc(/C=C/c2[nH+]ccn2Cc2ccccc2)s1 ZINC000079350789 426191771 /nfs/dbraw/zinc/19/17/71/426191771.db2.gz NXMXMHXMLQCMIN-BQYQJAHWSA-N 1 2 324.409 2.918 40 0 DFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000079349336 426192342 /nfs/dbraw/zinc/19/23/42/426192342.db2.gz YKFDEQFOLPBXHC-DOTOQJQBSA-N 1 2 302.422 2.804 40 0 DFABLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000084631005 426241863 /nfs/dbraw/zinc/24/18/63/426241863.db2.gz NGNLGCMVYFSMSE-GFCCVEGCSA-N 1 2 314.476 2.747 40 0 DFABLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000084631005 426241864 /nfs/dbraw/zinc/24/18/64/426241864.db2.gz NGNLGCMVYFSMSE-GFCCVEGCSA-N 1 2 314.476 2.747 40 0 DFABLO c1ccc(N[C@@H]2COC3(C2)CCN(c2cccnc2)CC3)[nH+]c1 ZINC000096074249 426396386 /nfs/dbraw/zinc/39/63/86/426396386.db2.gz SEOBSASVCNWZGN-HNNXBMFYSA-N 1 2 310.401 2.717 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccco1)CC2 ZINC000096197761 426405822 /nfs/dbraw/zinc/40/58/22/426405822.db2.gz IAQXQTAFQRZQTQ-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccco1)CC2 ZINC000096197761 426405825 /nfs/dbraw/zinc/40/58/25/426405825.db2.gz IAQXQTAFQRZQTQ-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)o1 ZINC000096057967 426393481 /nfs/dbraw/zinc/39/34/81/426393481.db2.gz NUXPWUSKDMEDNI-RCCFBDPRSA-N 1 2 314.385 2.794 40 0 DFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)o1 ZINC000096057967 426393485 /nfs/dbraw/zinc/39/34/85/426393485.db2.gz NUXPWUSKDMEDNI-RCCFBDPRSA-N 1 2 314.385 2.794 40 0 DFABLO c1coc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC000096260065 426413163 /nfs/dbraw/zinc/41/31/63/426413163.db2.gz GLRKVRGKVJXPPE-UHFFFAOYSA-N 1 2 311.341 2.800 40 0 DFABLO c1coc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC000096260065 426413167 /nfs/dbraw/zinc/41/31/67/426413167.db2.gz GLRKVRGKVJXPPE-UHFFFAOYSA-N 1 2 311.341 2.800 40 0 DFABLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](NC(C)=O)C1 ZINC000195576696 426540840 /nfs/dbraw/zinc/54/08/40/426540840.db2.gz BVKAWXWOGQZETA-CQSZACIVSA-N 1 2 313.401 2.657 40 0 DFABLO c1csc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)c1 ZINC000329003842 427024348 /nfs/dbraw/zinc/02/43/48/427024348.db2.gz KOHZHSZHFHMRHF-UHFFFAOYSA-N 1 2 323.425 2.630 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 ZINC000252001716 427171490 /nfs/dbraw/zinc/17/14/90/427171490.db2.gz MPSHOBBCJQTEOS-CGTJXYLNSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 ZINC000252001716 427171496 /nfs/dbraw/zinc/17/14/96/427171496.db2.gz MPSHOBBCJQTEOS-CGTJXYLNSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)no1 ZINC000257207500 427309519 /nfs/dbraw/zinc/30/95/19/427309519.db2.gz BIAGXMRKCBDHHM-OAHLLOKOSA-N 1 2 308.341 2.577 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257225291 427318475 /nfs/dbraw/zinc/31/84/75/427318475.db2.gz FFQLFERZKAPUHX-GFCCVEGCSA-N 1 2 301.415 2.898 40 0 DFABLO Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257237265 427321272 /nfs/dbraw/zinc/32/12/72/427321272.db2.gz HFUOYSSJFRFALZ-QGZVFWFLSA-N 1 2 324.428 2.824 40 0 DFABLO Cc1cc(C(=O)N(C)Cc2ccccc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257237265 427321275 /nfs/dbraw/zinc/32/12/75/427321275.db2.gz HFUOYSSJFRFALZ-QGZVFWFLSA-N 1 2 324.428 2.824 40 0 DFABLO CCCn1nc(C)c(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c1C ZINC000257257747 427323987 /nfs/dbraw/zinc/32/39/87/427323987.db2.gz KQXDNDYCJNEGPH-AWEZNQCLSA-N 1 2 315.421 2.571 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257259640 427328127 /nfs/dbraw/zinc/32/81/27/427328127.db2.gz KZHJAMMCJXFHAW-INIZCTEOSA-N 1 2 324.432 2.725 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257259640 427328131 /nfs/dbraw/zinc/32/81/31/427328131.db2.gz KZHJAMMCJXFHAW-INIZCTEOSA-N 1 2 324.432 2.725 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257263168 427328693 /nfs/dbraw/zinc/32/86/93/427328693.db2.gz LORVPBZTIYXSBP-CQSZACIVSA-N 1 2 322.412 2.768 40 0 DFABLO O=C(c1cccnc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257271894 427331449 /nfs/dbraw/zinc/33/14/49/427331449.db2.gz NAFOJVUKVVAUMT-MRXNPFEDSA-N 1 2 304.353 2.675 40 0 DFABLO O[C@@H](Cn1nc(C(F)(F)F)c2c[nH+]ccc21)CC(F)(F)F ZINC000193005613 427650004 /nfs/dbraw/zinc/65/00/04/427650004.db2.gz RINRFRIAUGADAZ-ZCFIWIBFSA-N 1 2 313.201 2.763 40 0 DFABLO CC(C)Nc1ccc(-c2cc3c(cc2CO)OCCO3)c[nH+]1 ZINC000585124218 430481291 /nfs/dbraw/zinc/48/12/91/430481291.db2.gz GUUSVSGQAWQLOO-UHFFFAOYSA-N 1 2 300.358 2.832 40 0 DFABLO CCOc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1OCC ZINC000095534590 185379481 /nfs/dbraw/zinc/37/94/81/185379481.db2.gz IMCSPXZSPWSIMS-AWEZNQCLSA-N 1 2 318.421 2.948 40 0 DFABLO CCOc1ccc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000095534590 185379482 /nfs/dbraw/zinc/37/94/82/185379482.db2.gz IMCSPXZSPWSIMS-AWEZNQCLSA-N 1 2 318.421 2.948 40 0 DFABLO Cc1cc(NC(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc[nH+]1 ZINC000079001816 185144897 /nfs/dbraw/zinc/14/48/97/185144897.db2.gz JHJSOENWSOKQPF-RUDMXATFSA-N 1 2 321.380 2.934 40 0 DFABLO Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc[nH+]1 ZINC000079001803 185144951 /nfs/dbraw/zinc/14/49/51/185144951.db2.gz YOWIRVMUXUISKI-CVEARBPZSA-N 1 2 315.417 2.757 40 0 DFABLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000079001668 185144979 /nfs/dbraw/zinc/14/49/79/185144979.db2.gz VTZPNLLKESNWSF-HUUCEWRRSA-N 1 2 315.417 2.757 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275143 398438534 /nfs/dbraw/zinc/43/85/34/398438534.db2.gz YFCIEUFBBXMBKV-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275143 398438541 /nfs/dbraw/zinc/43/85/41/398438541.db2.gz YFCIEUFBBXMBKV-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO Cc1cc(C[N@@H+]2CCC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585268955 398436940 /nfs/dbraw/zinc/43/69/40/398436940.db2.gz FOAOPPWLFWCSHP-SFHVURJKSA-N 1 2 316.401 2.697 40 0 DFABLO Cc1cc(C[N@H+]2CCC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585268955 398436943 /nfs/dbraw/zinc/43/69/43/398436943.db2.gz FOAOPPWLFWCSHP-SFHVURJKSA-N 1 2 316.401 2.697 40 0 DFABLO COCCC(=O)N1CCCC[C@H]1c1[nH+]c(C)n2ccsc12 ZINC000585178903 398436969 /nfs/dbraw/zinc/43/69/69/398436969.db2.gz KAJQQTPNSSYLFK-LBPRGKRZSA-N 1 2 307.419 2.794 40 0 DFABLO Cc1[nH]ncc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000093280567 398627136 /nfs/dbraw/zinc/62/71/36/398627136.db2.gz YLGNUKKKQGWBND-KRWDZBQOSA-N 1 2 303.381 2.803 40 0 DFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](CC1CCCC1)C2 ZINC000072337100 191125901 /nfs/dbraw/zinc/12/59/01/191125901.db2.gz YGERPOBJOGBYHR-UHFFFAOYSA-N 1 2 312.417 2.861 40 0 DFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](CC1CCCC1)C2 ZINC000072337100 191125905 /nfs/dbraw/zinc/12/59/05/191125905.db2.gz YGERPOBJOGBYHR-UHFFFAOYSA-N 1 2 312.417 2.861 40 0 DFABLO Cc1cc(N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)ncn1 ZINC000072355584 191130000 /nfs/dbraw/zinc/13/00/00/191130000.db2.gz QGNDJODEOZGPRI-OAHLLOKOSA-N 1 2 320.400 2.750 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072360155 191132286 /nfs/dbraw/zinc/13/22/86/191132286.db2.gz OVVJNJNRAHBWRH-GFCCVEGCSA-N 1 2 318.450 2.968 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072360155 191132289 /nfs/dbraw/zinc/13/22/89/191132289.db2.gz OVVJNJNRAHBWRH-GFCCVEGCSA-N 1 2 318.450 2.968 40 0 DFABLO CC[N@@H+]1CCCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072384600 191143772 /nfs/dbraw/zinc/14/37/72/191143772.db2.gz CWHXEEUAYSZHOD-LBPRGKRZSA-N 1 2 304.423 2.927 40 0 DFABLO CC[N@H+]1CCCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072384600 191143773 /nfs/dbraw/zinc/14/37/73/191143773.db2.gz CWHXEEUAYSZHOD-LBPRGKRZSA-N 1 2 304.423 2.927 40 0 DFABLO CCc1cccc(C)c1N(C(=O)Cn1cc[nH+]c1)[C@@H](C)COC ZINC000004385927 181105888 /nfs/dbraw/zinc/10/58/88/181105888.db2.gz LBLKUISBPIXDTP-HNNXBMFYSA-N 1 2 315.417 2.822 40 0 DFABLO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)nc1 ZINC000080912000 192201610 /nfs/dbraw/zinc/20/16/10/192201610.db2.gz NSDRFVDUGXOJFC-UHFFFAOYSA-N 1 2 315.804 2.756 40 0 DFABLO C[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(Cl)nc1 ZINC000080912000 192201613 /nfs/dbraw/zinc/20/16/13/192201613.db2.gz NSDRFVDUGXOJFC-UHFFFAOYSA-N 1 2 315.804 2.756 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)[nH+]1 ZINC000257270242 203000568 /nfs/dbraw/zinc/00/05/68/203000568.db2.gz MTHKIZKTLVTIQG-INIZCTEOSA-N 1 2 323.400 2.822 40 0 DFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257302745 203026875 /nfs/dbraw/zinc/02/68/75/203026875.db2.gz SEDHJBQFJREZQR-KRWDZBQOSA-N 1 2 312.417 2.540 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)cc[nH+]1 ZINC000257311064 203036273 /nfs/dbraw/zinc/03/62/73/203036273.db2.gz UHUICADLAHTYLQ-MRXNPFEDSA-N 1 2 321.384 2.977 40 0 DFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccsc2)CC[N@@H+]1C ZINC000257316432 203040313 /nfs/dbraw/zinc/04/03/13/203040313.db2.gz VFOAQTPLUOXDEL-OAHLLOKOSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccsc2)CC[N@H+]1C ZINC000257316432 203040315 /nfs/dbraw/zinc/04/03/15/203040315.db2.gz VFOAQTPLUOXDEL-OAHLLOKOSA-N 1 2 316.426 2.886 40 0 DFABLO CCc1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(NC)c3)C2)on1 ZINC000257318582 203043371 /nfs/dbraw/zinc/04/33/71/203043371.db2.gz VOOOXFKAZXVXBJ-ZDUSSCGKSA-N 1 2 314.389 2.694 40 0 DFABLO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H](Cc4ccn[nH]4)C3)c2n1 ZINC000257344595 203066916 /nfs/dbraw/zinc/06/69/16/203066916.db2.gz ZXYKVVCPIBNZQL-OAHLLOKOSA-N 1 2 324.432 2.524 40 0 DFABLO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](Cc4ccn[nH]4)C3)c2n1 ZINC000257344595 203066919 /nfs/dbraw/zinc/06/69/19/203066919.db2.gz ZXYKVVCPIBNZQL-OAHLLOKOSA-N 1 2 324.432 2.524 40 0 DFABLO CC(C)N(CC1CCC1)C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000193393065 399176391 /nfs/dbraw/zinc/17/63/91/399176391.db2.gz OZQQDDDYTMHJLV-UHFFFAOYSA-N 1 2 304.438 2.868 40 0 DFABLO O[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 ZINC000195560601 399186198 /nfs/dbraw/zinc/18/61/98/399186198.db2.gz MBDJYMICKPBJSC-HOCLYGCPSA-N 1 2 313.332 2.621 40 0 DFABLO CC(C)C(NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000038753122 183008832 /nfs/dbraw/zinc/00/88/32/183008832.db2.gz FLZZROXASFBDQQ-UHFFFAOYSA-N 1 2 318.461 2.929 40 0 DFABLO CS[C@H]1CCC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000083990505 542505398 /nfs/dbraw/zinc/50/53/98/542505398.db2.gz VYCDRSMJVHPBIA-KBPBESRZSA-N 1 2 308.451 2.514 40 0 DFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1 ZINC000095533515 257137118 /nfs/dbraw/zinc/13/71/18/257137118.db2.gz ZSEWBASXQHOFNK-HNNXBMFYSA-N 1 2 310.357 2.537 40 0 DFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3cccc(OC)c3)n2)cc1 ZINC000095533515 257137120 /nfs/dbraw/zinc/13/71/20/257137120.db2.gz ZSEWBASXQHOFNK-HNNXBMFYSA-N 1 2 310.357 2.537 40 0 DFABLO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408677337 257228470 /nfs/dbraw/zinc/22/84/70/257228470.db2.gz CQUYGQUONZPQGW-MRXNPFEDSA-N 1 2 301.390 2.555 40 0 DFABLO O=C(CSCc1ccccc1Cl)NCCCn1cc[nH+]c1 ZINC000408577443 257229729 /nfs/dbraw/zinc/22/97/29/257229729.db2.gz OSQDFDHUUITVGB-UHFFFAOYSA-N 1 2 323.849 2.976 40 0 DFABLO Cc1ccc(C[N@H+](Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420879 543451802 /nfs/dbraw/zinc/45/18/02/543451802.db2.gz KQZFWJUADHDSAL-INIZCTEOSA-N 1 2 319.426 2.777 40 0 DFABLO Cc1ccc(C[N@@H+](Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420879 543451805 /nfs/dbraw/zinc/45/18/05/543451805.db2.gz KQZFWJUADHDSAL-INIZCTEOSA-N 1 2 319.426 2.777 40 0 DFABLO Cc1ccc(C[N@H+](Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420886 543452048 /nfs/dbraw/zinc/45/20/48/543452048.db2.gz KQZFWJUADHDSAL-MRXNPFEDSA-N 1 2 319.426 2.777 40 0 DFABLO Cc1ccc(C[N@@H+](Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420886 543452050 /nfs/dbraw/zinc/45/20/50/543452050.db2.gz KQZFWJUADHDSAL-MRXNPFEDSA-N 1 2 319.426 2.777 40 0 DFABLO CCOc1ccc(/C=C2\SC(=O)N(C[NH+](C)C)C2=O)cc1 ZINC000059502547 425898611 /nfs/dbraw/zinc/89/86/11/425898611.db2.gz KUPRZHOUVPGQSO-LCYFTJDESA-N 1 2 306.387 2.641 40 0 DFABLO O=C(CCSCc1ccccc1)NCCCn1cc[nH+]c1 ZINC000013688181 425758398 /nfs/dbraw/zinc/75/83/98/425758398.db2.gz YSWAAPHZSSSFJP-UHFFFAOYSA-N 1 2 303.431 2.713 40 0 DFABLO c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2nccs2)c1 ZINC000107747415 426002541 /nfs/dbraw/zinc/00/25/41/426002541.db2.gz RPCKWFHDAKLNJF-DZKIICNBSA-N 1 2 303.431 2.624 40 0 DFABLO c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2nccs2)c1 ZINC000107747415 426002544 /nfs/dbraw/zinc/00/25/44/426002544.db2.gz RPCKWFHDAKLNJF-DZKIICNBSA-N 1 2 303.431 2.624 40 0 DFABLO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]([C@@H]3CCOC3)[NH+]3CCC12CC3 ZINC000072326159 426015266 /nfs/dbraw/zinc/01/52/66/426015266.db2.gz CDHVULDMLOAIPM-KUHUBIRLSA-N 1 2 323.440 2.693 40 0 DFABLO COc1ccccc1-c1ccc(=O)n(C[NH+]2CCCCCC2)n1 ZINC000079488689 426193985 /nfs/dbraw/zinc/19/39/85/426193985.db2.gz BYTLUBAMACERNO-UHFFFAOYSA-N 1 2 313.401 2.752 40 0 DFABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)o1 ZINC000096062042 426395430 /nfs/dbraw/zinc/39/54/30/426395430.db2.gz QMECWGADIMTITE-AWEZNQCLSA-N 1 2 311.389 2.606 40 0 DFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccco1 ZINC000096197849 426405945 /nfs/dbraw/zinc/40/59/45/426405945.db2.gz UXXVXGSSOIQBTI-MRXNPFEDSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccco1 ZINC000096197849 426405947 /nfs/dbraw/zinc/40/59/47/426405947.db2.gz UXXVXGSSOIQBTI-MRXNPFEDSA-N 1 2 301.390 2.632 40 0 DFABLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4ccco4)C3)C2)cs1 ZINC000096046419 426391561 /nfs/dbraw/zinc/39/15/61/426391561.db2.gz WTVNZIIPXADWOQ-UHFFFAOYSA-N 1 2 303.431 2.752 40 0 DFABLO Cc1nc(C[N@H+]2CCC3(CN(Cc4ccco4)C3)C2)cs1 ZINC000096046419 426391562 /nfs/dbraw/zinc/39/15/62/426391562.db2.gz WTVNZIIPXADWOQ-UHFFFAOYSA-N 1 2 303.431 2.752 40 0 DFABLO c1cn(Cc2noc3c2CN(Cc2ccsc2)CC3)c[nH+]1 ZINC000096259768 426411801 /nfs/dbraw/zinc/41/18/01/426411801.db2.gz NSYOJSQCAWHVEU-UHFFFAOYSA-N 1 2 300.387 2.539 40 0 DFABLO CCNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000328964047 427018294 /nfs/dbraw/zinc/01/82/94/427018294.db2.gz BSKQNRIJDXRPPV-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO CNc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329007165 427024464 /nfs/dbraw/zinc/02/44/64/427024464.db2.gz LHLMXDBEJBXZSQ-UHFFFAOYSA-N 1 2 319.206 2.746 40 0 DFABLO Cc1nc(N(C)C)cc([C@H]2CCCN2Cc2cscn2)[nH+]1 ZINC000257215198 427314841 /nfs/dbraw/zinc/31/48/41/427314841.db2.gz CPCWUSMPTIZMHK-CQSZACIVSA-N 1 2 303.435 2.645 40 0 DFABLO c1ccc(N2CCCC2)c(C[N@@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257222561 427318003 /nfs/dbraw/zinc/31/80/03/427318003.db2.gz DTSWIRLYWNWFPC-IBGZPJMESA-N 1 2 324.428 2.650 40 0 DFABLO c1ccc(N2CCCC2)c(C[N@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257222561 427318010 /nfs/dbraw/zinc/31/80/10/427318010.db2.gz DTSWIRLYWNWFPC-IBGZPJMESA-N 1 2 324.428 2.650 40 0 DFABLO Cc1nccc([C@@H]2C[N@H+](Cc3cn(C)c4ccccc34)CCO2)n1 ZINC000257232088 427318700 /nfs/dbraw/zinc/31/87/00/427318700.db2.gz GJJFQALMGQPHMV-IBGZPJMESA-N 1 2 322.412 2.850 40 0 DFABLO Cc1c[nH]c(-c2cnc(C3CCN(c4cccc[nH+]4)CC3)cn2)n1 ZINC000257245060 427320826 /nfs/dbraw/zinc/32/08/26/427320826.db2.gz INYPIZAQRVDOFX-UHFFFAOYSA-N 1 2 320.400 2.954 40 0 DFABLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCc2occc21 ZINC000263794513 427573131 /nfs/dbraw/zinc/57/31/31/427573131.db2.gz OINQFJIUVZUFGA-CQSZACIVSA-N 1 2 314.389 2.689 40 0 DFABLO CC(C)N(Cc1ccco1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000264059280 427647242 /nfs/dbraw/zinc/64/72/42/427647242.db2.gz KWNNQYOVLRWQEW-UHFFFAOYSA-N 1 2 316.405 2.933 40 0 DFABLO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H]3CCC[C@@H]3[N@@H+]1CC2 ZINC000004759861 277395297 /nfs/dbraw/zinc/39/52/97/277395297.db2.gz GFMRLSXLFYOCEG-AEGPPILISA-N 1 2 301.386 2.745 40 0 DFABLO COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H]3CCC[C@@H]3[N@H+]1CC2 ZINC000004759861 277395299 /nfs/dbraw/zinc/39/52/99/277395299.db2.gz GFMRLSXLFYOCEG-AEGPPILISA-N 1 2 301.386 2.745 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257236102 293920068 /nfs/dbraw/zinc/92/00/68/293920068.db2.gz HATYEKKCYALNRJ-AWEZNQCLSA-N 1 2 324.388 2.809 40 0 DFABLO C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165048 341374184 /nfs/dbraw/zinc/37/41/84/341374184.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 1 2 315.505 2.782 40 0 DFABLO C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165048 341374185 /nfs/dbraw/zinc/37/41/85/341374185.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 1 2 315.505 2.782 40 0 DFABLO COC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000242560561 563916861 /nfs/dbraw/zinc/91/68/61/563916861.db2.gz CEHPPZMJBVPBJI-UHFFFAOYSA-N 1 2 324.808 2.941 40 0 DFABLO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc[nH+]1 ZINC000079001765 185144599 /nfs/dbraw/zinc/14/45/99/185144599.db2.gz XLGWJVXPZKHLPC-AWEZNQCLSA-N 1 2 303.406 2.756 40 0 DFABLO CCOc1ncc(C(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000079028353 185147192 /nfs/dbraw/zinc/14/71/92/185147192.db2.gz BIHPCOQRKPMBAS-UHFFFAOYSA-N 1 2 322.796 2.540 40 0 DFABLO O=S(=O)(Nc1c[nH+]ccc1N1CCCCC1)c1cccs1 ZINC000079102267 185158671 /nfs/dbraw/zinc/15/86/71/185158671.db2.gz ARQPFDPKUFYDIF-UHFFFAOYSA-N 1 2 323.443 2.934 40 0 DFABLO Cc1cn(C(C)(C)C(=O)NC[C@H](C)Oc2cccc(F)c2)c[nH+]1 ZINC000585141277 398435836 /nfs/dbraw/zinc/43/58/36/398435836.db2.gz RZAYHPXEMUZDQD-ZDUSSCGKSA-N 1 2 319.380 2.649 40 0 DFABLO CC(=O)c1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000083843731 192386945 /nfs/dbraw/zinc/38/69/45/192386945.db2.gz HHKPYAZUSYLFOK-UHFFFAOYSA-N 1 2 300.362 2.640 40 0 DFABLO Cc1ncc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000083953132 192391597 /nfs/dbraw/zinc/39/15/97/192391597.db2.gz ZNUGLDNOQHSKTD-HXUWFJFHSA-N 1 2 305.428 2.857 40 0 DFABLO C/C=C/C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000083952898 192392438 /nfs/dbraw/zinc/39/24/38/192392438.db2.gz SFHMRAZLCAEITD-RCAFFNEUSA-N 1 2 313.220 2.922 40 0 DFABLO C[C@H](C(=O)NC[C@H](C)Oc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000081350062 192254823 /nfs/dbraw/zinc/25/48/23/192254823.db2.gz QLRDGWIIXANKBO-NWDGAFQWSA-N 1 2 307.781 2.681 40 0 DFABLO Cc1nnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000081518512 192279563 /nfs/dbraw/zinc/27/95/63/192279563.db2.gz MAVKECPHGZIULR-YPMHNXCESA-N 1 2 324.425 2.503 40 0 DFABLO Cc1nnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000081518512 192279567 /nfs/dbraw/zinc/27/95/67/192279567.db2.gz MAVKECPHGZIULR-YPMHNXCESA-N 1 2 324.425 2.503 40 0 DFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000257232305 202965736 /nfs/dbraw/zinc/96/57/36/202965736.db2.gz GKHILOLFJFJULQ-ZDUSSCGKSA-N 1 2 306.373 2.564 40 0 DFABLO CNc1nc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cn2cccc12 ZINC000257276460 203003186 /nfs/dbraw/zinc/00/31/86/203003186.db2.gz NTVCSMLECKCUNY-AWEZNQCLSA-N 1 2 322.416 2.858 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)cc[nH+]1 ZINC000257276097 203003733 /nfs/dbraw/zinc/00/37/33/203003733.db2.gz NSIVRXLVGDSRLE-FYCOFBDGSA-N 1 2 308.385 2.895 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)[nH+]1 ZINC000257300295 203025622 /nfs/dbraw/zinc/02/56/22/203025622.db2.gz RTTFONBGXSEWTF-OAHLLOKOSA-N 1 2 323.400 2.662 40 0 DFABLO CNc1cncc([C@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257305109 203030062 /nfs/dbraw/zinc/03/00/62/203030062.db2.gz SOLZZTBTKWRKGT-CQSZACIVSA-N 1 2 300.410 2.633 40 0 DFABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257305109 203030065 /nfs/dbraw/zinc/03/00/65/203030065.db2.gz SOLZZTBTKWRKGT-CQSZACIVSA-N 1 2 300.410 2.633 40 0 DFABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257305109 203030068 /nfs/dbraw/zinc/03/00/68/203030068.db2.gz SOLZZTBTKWRKGT-CQSZACIVSA-N 1 2 300.410 2.633 40 0 DFABLO CC(C)c1cc(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000257307359 203032367 /nfs/dbraw/zinc/03/23/67/203032367.db2.gz SYHRHCKVDYEQPB-UMVBOHGHSA-N 1 2 319.430 2.562 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(OC)nc2)cc[nH+]1 ZINC000257283912 203012104 /nfs/dbraw/zinc/01/21/04/203012104.db2.gz PALNNOBPPOOGSQ-CQSZACIVSA-N 1 2 312.373 2.504 40 0 DFABLO Cc1cc(C(=O)N2CCCCCCC2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257285661 203012695 /nfs/dbraw/zinc/01/26/95/203012695.db2.gz PIDVKHUCZPMKII-MRXNPFEDSA-N 1 2 316.449 2.958 40 0 DFABLO Cc1cc(C(=O)N2CCCCCCC2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257285661 203012698 /nfs/dbraw/zinc/01/26/98/203012698.db2.gz PIDVKHUCZPMKII-MRXNPFEDSA-N 1 2 316.449 2.958 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)[nH+]1 ZINC000257283585 203012742 /nfs/dbraw/zinc/01/27/42/203012742.db2.gz OYXISWNQJQWQMU-CYBMUJFWSA-N 1 2 317.364 2.642 40 0 DFABLO CCCc1nnsc1C(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257309864 203035320 /nfs/dbraw/zinc/03/53/20/203035320.db2.gz UCSHBMJIVMENQA-LLVKDONJSA-N 1 2 319.434 2.542 40 0 DFABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257318452 203043863 /nfs/dbraw/zinc/04/38/63/203043863.db2.gz VNZJEMKZFNFHPY-MRXNPFEDSA-N 1 2 322.416 2.742 40 0 DFABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257318452 203043867 /nfs/dbraw/zinc/04/38/67/203043867.db2.gz VNZJEMKZFNFHPY-MRXNPFEDSA-N 1 2 322.416 2.742 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(C(C)C)[nH]c2=O)[nH+]1 ZINC000257322797 203048428 /nfs/dbraw/zinc/04/84/28/203048428.db2.gz WHKVVLCXJQQORH-AWEZNQCLSA-N 1 2 314.389 2.919 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257344141 203066401 /nfs/dbraw/zinc/06/64/01/203066401.db2.gz ZVYALFKBYGMCAU-HNNXBMFYSA-N 1 2 323.396 2.900 40 0 DFABLO CC(C)Cn1ncc(C(=O)Nc2cc[nH+]cc2O)c1C(F)F ZINC000195557102 399184856 /nfs/dbraw/zinc/18/48/56/399184856.db2.gz HCJINXMDEATDJH-UHFFFAOYSA-N 1 2 310.304 2.830 40 0 DFABLO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019913224 182163782 /nfs/dbraw/zinc/16/37/82/182163782.db2.gz LMKUMZYWBCXBDC-UHFFFAOYSA-N 1 2 314.360 2.910 40 0 DFABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCC(F)(F)CC1 ZINC000130804458 196112316 /nfs/dbraw/zinc/11/23/16/196112316.db2.gz BOAUSWSEWHFWEG-AWEZNQCLSA-N 1 2 323.387 2.992 40 0 DFABLO O=C(Cc1cccc(F)c1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130940726 196125147 /nfs/dbraw/zinc/12/51/47/196125147.db2.gz RSBVBIBXRCSHQH-MRXNPFEDSA-N 1 2 313.376 2.548 40 0 DFABLO Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000131203917 196149170 /nfs/dbraw/zinc/14/91/70/196149170.db2.gz PRYDWYFOAOGLQB-CQSZACIVSA-N 1 2 315.442 2.779 40 0 DFABLO O=c1cc(Cn2cc[nH+]c2)c2ccc(Br)cc2o1 ZINC000010809627 425704399 /nfs/dbraw/zinc/70/43/99/425704399.db2.gz QNIBVNISOIMVJK-UHFFFAOYSA-N 1 2 305.131 2.800 40 0 DFABLO Cc1csc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000012117354 425717884 /nfs/dbraw/zinc/71/78/84/425717884.db2.gz UIBICBLAGPWMEM-UHFFFAOYSA-N 1 2 316.430 2.665 40 0 DFABLO Cc1cccc(-c2ocnc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000012144647 425719566 /nfs/dbraw/zinc/71/95/66/425719566.db2.gz SCNKHYBNPOAUIA-UHFFFAOYSA-N 1 2 310.357 2.667 40 0 DFABLO CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21[NH2+]CCO1 ZINC000022238444 425796714 /nfs/dbraw/zinc/79/67/14/425796714.db2.gz QCAYOGHBCBLICE-VOJFVSQTSA-N 1 2 300.402 2.654 40 0 DFABLO O=C(Cc1ccc(F)cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130205601 426150280 /nfs/dbraw/zinc/15/02/80/426150280.db2.gz XBYOOUYNCDLIKG-INIZCTEOSA-N 1 2 313.376 2.548 40 0 DFABLO C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084092502 426232364 /nfs/dbraw/zinc/23/23/64/426232364.db2.gz TYOSXKZONSILCW-SJORKVTESA-N 1 2 318.442 2.632 40 0 DFABLO C[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084092502 426232366 /nfs/dbraw/zinc/23/23/66/426232366.db2.gz TYOSXKZONSILCW-SJORKVTESA-N 1 2 318.442 2.632 40 0 DFABLO CCOc1ccc2nc(NCCC[NH+]3CCOCC3)sc2c1 ZINC000085436324 426251305 /nfs/dbraw/zinc/25/13/05/426251305.db2.gz VTQWZOATKGKESO-UHFFFAOYSA-N 1 2 321.446 2.829 40 0 DFABLO COc1cc(NC2CC[NH+](Cc3ccon3)CC2)cc(OC)c1 ZINC000085868457 426254747 /nfs/dbraw/zinc/25/47/47/426254747.db2.gz MZBHTXZZDZUYOW-UHFFFAOYSA-N 1 2 317.389 2.768 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096060106 426394150 /nfs/dbraw/zinc/39/41/50/426394150.db2.gz FFXLUSPSERHQIM-OAHLLOKOSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096060106 426394152 /nfs/dbraw/zinc/39/41/52/426394152.db2.gz FFXLUSPSERHQIM-OAHLLOKOSA-N 1 2 301.390 2.539 40 0 DFABLO Fc1ccc2nc(CO[C@H]3C[N@@H+](CC4CC4)C[C@H]3F)[nH]c2c1 ZINC000096112234 426398849 /nfs/dbraw/zinc/39/88/49/426398849.db2.gz SOIPNELJCUYZGI-DOMZBBRYSA-N 1 2 307.344 2.651 40 0 biogenic,in-vitro DFABLO Fc1ccc2nc(CO[C@H]3C[N@H+](CC4CC4)C[C@H]3F)[nH]c2c1 ZINC000096112234 426398852 /nfs/dbraw/zinc/39/88/52/426398852.db2.gz SOIPNELJCUYZGI-DOMZBBRYSA-N 1 2 307.344 2.651 40 0 biogenic,in-vitro DFABLO Cc1ccc(N(C)CCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225797010 426611926 /nfs/dbraw/zinc/61/19/26/426611926.db2.gz VOCGDIYCWUHBGF-UHFFFAOYSA-N 1 2 300.431 2.813 40 0 DFABLO COc1ccccc1OC[C@H](C)NC(=S)Nc1cc[nH+]cc1 ZINC000225788387 426611995 /nfs/dbraw/zinc/61/19/95/426611995.db2.gz MJDHDNBFZZEMRE-LBPRGKRZSA-N 1 2 317.414 2.844 40 0 DFABLO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000246756757 426862250 /nfs/dbraw/zinc/86/22/50/426862250.db2.gz QNCANLXJDTUFFW-CJNGLKHVSA-N 1 2 320.339 2.676 40 0 DFABLO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000246756757 426862255 /nfs/dbraw/zinc/86/22/55/426862255.db2.gz QNCANLXJDTUFFW-CJNGLKHVSA-N 1 2 320.339 2.676 40 0 DFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)n1 ZINC000248027202 426975521 /nfs/dbraw/zinc/97/55/21/426975521.db2.gz KSVKXYXLWSOJBO-CYBMUJFWSA-N 1 2 319.455 2.677 40 0 DFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCC1CC1 ZINC000248041541 426975644 /nfs/dbraw/zinc/97/56/44/426975644.db2.gz OZHOYFUVLIBMJR-HNNXBMFYSA-N 1 2 322.474 2.859 40 0 DFABLO CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328981587 427021092 /nfs/dbraw/zinc/02/10/92/427021092.db2.gz GUODHUGDBIYUTA-INIZCTEOSA-N 1 2 312.417 3.526 40 0 DFABLO CC[C@@H](C)Nc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000329024799 427026746 /nfs/dbraw/zinc/02/67/46/427026746.db2.gz PBFSUPJNYVVECU-CYBMUJFWSA-N 1 2 323.400 2.798 40 0 DFABLO OCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329027814 427026947 /nfs/dbraw/zinc/02/69/47/427026947.db2.gz PTBARASOMJGVEM-UHFFFAOYSA-N 1 2 324.359 3.431 40 0 DFABLO CC(=O)N1CC[N@H+](CCC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000257208337 427309343 /nfs/dbraw/zinc/30/93/43/427309343.db2.gz BLTCOGXULIHFQH-AWEZNQCLSA-N 1 2 300.324 2.844 40 0 DFABLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000257208337 427309346 /nfs/dbraw/zinc/30/93/46/427309346.db2.gz BLTCOGXULIHFQH-AWEZNQCLSA-N 1 2 300.324 2.844 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257201128 427309629 /nfs/dbraw/zinc/30/96/29/427309629.db2.gz AGKPCETUZKQIDC-ZDUSSCGKSA-N 1 2 316.405 2.860 40 0 DFABLO CNc1ncccc1C[N@@H+]1CCN(C(C)=O)C[C@H]1c1ccccc1 ZINC000257202693 427310353 /nfs/dbraw/zinc/31/03/53/427310353.db2.gz AMWXSZUQZFJCJE-SFHVURJKSA-N 1 2 324.428 2.529 40 0 DFABLO CNc1ncccc1C[N@H+]1CCN(C(C)=O)C[C@H]1c1ccccc1 ZINC000257202693 427310359 /nfs/dbraw/zinc/31/03/59/427310359.db2.gz AMWXSZUQZFJCJE-SFHVURJKSA-N 1 2 324.428 2.529 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCOc2ccccc2F)[nH+]1 ZINC000257200915 427310871 /nfs/dbraw/zinc/31/08/71/427310871.db2.gz AFIKPWSCWCFDLY-CQSZACIVSA-N 1 2 317.364 2.990 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257214782 427313725 /nfs/dbraw/zinc/31/37/25/427313725.db2.gz CNKTYSSLVNPYGG-CYBMUJFWSA-N 1 2 318.446 2.822 40 0 DFABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257231213 427315719 /nfs/dbraw/zinc/31/57/19/427315719.db2.gz GFUMMDFDJOKDKU-OAHLLOKOSA-N 1 2 313.401 2.837 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cscn2)cc[nH+]1 ZINC000257248016 427321249 /nfs/dbraw/zinc/32/12/49/427321249.db2.gz JBRPUZOMBNSEJE-ZDUSSCGKSA-N 1 2 302.403 2.581 40 0 DFABLO COc1ccccc1CC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257239656 427322018 /nfs/dbraw/zinc/32/20/18/427322018.db2.gz HQGPMJYYWXBYOO-OAHLLOKOSA-N 1 2 313.401 2.675 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)cc[nH+]1 ZINC000257253172 427325581 /nfs/dbraw/zinc/32/55/81/427325581.db2.gz JXVIDLMJKYLSFF-HNNXBMFYSA-N 1 2 321.384 2.977 40 0 DFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ncccc3C)C2)cc[nH+]1 ZINC000257256038 427325860 /nfs/dbraw/zinc/32/58/60/427325860.db2.gz KJVSCYVVRVJVJQ-OAHLLOKOSA-N 1 2 310.401 2.847 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257263167 427329146 /nfs/dbraw/zinc/32/91/46/427329146.db2.gz LORVPBZTIYXSBP-AWEZNQCLSA-N 1 2 322.412 2.768 40 0 DFABLO COCCC(=O)N1CCC[C@@](C)(c2[nH+]c(C)n3ccsc23)C1 ZINC000257263511 427329605 /nfs/dbraw/zinc/32/96/05/427329605.db2.gz LQFPCSRCXXXKBF-MRXNPFEDSA-N 1 2 321.446 2.621 40 0 DFABLO O=C(c1cccnc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257271893 427331809 /nfs/dbraw/zinc/33/18/09/427331809.db2.gz NAFOJVUKVVAUMT-INIZCTEOSA-N 1 2 304.353 2.675 40 0 DFABLO C[C@H]1CCC[N@H+](Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000192054961 427472420 /nfs/dbraw/zinc/47/24/20/427472420.db2.gz IJNFCCMCPYNJTL-UONOGXRCSA-N 1 2 320.437 2.602 40 0 DFABLO C[C@H]1CCC[N@@H+](Cc2ncccn2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000192054961 427472428 /nfs/dbraw/zinc/47/24/28/427472428.db2.gz IJNFCCMCPYNJTL-UONOGXRCSA-N 1 2 320.437 2.602 40 0 DFABLO CCc1nnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192136561 427489054 /nfs/dbraw/zinc/48/90/54/427489054.db2.gz IWZAXAVWJKYZNO-SWLSCSKDSA-N 1 2 309.316 2.530 40 0 DFABLO Cc1ccc2cc(C(=O)NCc3cn4c([nH+]3)CCCC4)[nH]c2c1 ZINC000263772974 427568002 /nfs/dbraw/zinc/56/80/02/427568002.db2.gz KIBMERUGZWMPIE-UHFFFAOYSA-N 1 2 308.385 2.939 40 0 DFABLO CCNc1nc(NCc2cccc(C)c2)cc(-c2cccnc2)[nH+]1 ZINC000329051479 527996142 /nfs/dbraw/zinc/99/61/42/527996142.db2.gz UYAXPVLRJBDHNQ-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO CC(C)c1ncc(Cl)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000081801490 192327559 /nfs/dbraw/zinc/32/75/59/192327559.db2.gz AXQHKNMTEJEARD-NSHDSACASA-N 1 2 321.812 2.516 40 0 DFABLO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc[nH+]1 ZINC000079001810 185144681 /nfs/dbraw/zinc/14/46/81/185144681.db2.gz YOWIRVMUXUISKI-JKSUJKDBSA-N 1 2 315.417 2.757 40 0 DFABLO COc1ccc(-c2cnc3n2CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000306139558 231089037 /nfs/dbraw/zinc/08/90/37/231089037.db2.gz TUCJYSBBJBPQJJ-UHFFFAOYSA-N 1 2 320.396 2.970 40 0 DFABLO COc1ccc(-c2cnc3n2CC[N@H+](Cc2cccnc2)C3)cc1 ZINC000306139558 231089041 /nfs/dbraw/zinc/08/90/41/231089041.db2.gz TUCJYSBBJBPQJJ-UHFFFAOYSA-N 1 2 320.396 2.970 40 0 DFABLO CO[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585275029 398438330 /nfs/dbraw/zinc/43/83/30/398438330.db2.gz UGBSQGMLMWPKQC-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585275029 398438335 /nfs/dbraw/zinc/43/83/35/398438335.db2.gz UGBSQGMLMWPKQC-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275185 398438585 /nfs/dbraw/zinc/43/85/85/398438585.db2.gz ZHLZCQRKQPBSJU-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275185 398438588 /nfs/dbraw/zinc/43/85/88/398438588.db2.gz ZHLZCQRKQPBSJU-QAPCUYQASA-N 1 2 317.408 2.937 40 0 DFABLO Cn1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000080546167 192165453 /nfs/dbraw/zinc/16/54/53/192165453.db2.gz RJNWGZDCVGCWLO-INIZCTEOSA-N 1 2 316.380 2.552 40 0 DFABLO Cn1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000080546167 192165455 /nfs/dbraw/zinc/16/54/55/192165455.db2.gz RJNWGZDCVGCWLO-INIZCTEOSA-N 1 2 316.380 2.552 40 0 DFABLO CN(C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CCC1 ZINC000083751456 192381413 /nfs/dbraw/zinc/38/14/13/192381413.db2.gz REVOHHPLAINELC-UHFFFAOYSA-N 1 2 312.417 2.820 40 0 DFABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3C)nc(C)n2)s1 ZINC000072360123 191131039 /nfs/dbraw/zinc/13/10/39/191131039.db2.gz REBVQFYQFKBTJV-NSHDSACASA-N 1 2 304.423 2.709 40 0 DFABLO CCc1nnc(Nc2cc([C@@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000072360123 191131040 /nfs/dbraw/zinc/13/10/40/191131040.db2.gz REBVQFYQFKBTJV-NSHDSACASA-N 1 2 304.423 2.709 40 0 DFABLO CC(=O)Nc1nc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cs1 ZINC000072369098 191138023 /nfs/dbraw/zinc/13/80/23/191138023.db2.gz ZLHMOXRFIXRYIL-GFCCVEGCSA-N 1 2 317.418 2.584 40 0 DFABLO C[C@H](C[NH2+][C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621931 201264222 /nfs/dbraw/zinc/26/42/22/201264222.db2.gz KHQBSSHMQOSXRL-QAPCUYQASA-N 1 2 309.413 2.970 40 0 DFABLO O=C(NCc1[nH]cc[nH+]1)c1c[nH]nc1-c1ccc(F)c(Cl)c1 ZINC000079020997 399009478 /nfs/dbraw/zinc/00/94/78/399009478.db2.gz SOJCEXKJQVAJRR-UHFFFAOYSA-N 1 2 319.727 2.522 40 0 DFABLO C[NH+]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000006734513 181380152 /nfs/dbraw/zinc/38/01/52/181380152.db2.gz MPZWHKTVZBFTEH-UHFFFAOYSA-N 1 2 304.777 2.988 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)[nH+]1 ZINC000257270243 203000579 /nfs/dbraw/zinc/00/05/79/203000579.db2.gz MTHKIZKTLVTIQG-MRXNPFEDSA-N 1 2 323.400 2.822 40 0 DFABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257295636 203021813 /nfs/dbraw/zinc/02/18/13/203021813.db2.gz QZFNPIFGCGJAFY-CQSZACIVSA-N 1 2 323.462 2.575 40 0 DFABLO Cn1c[nH+]cc1CN1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257300831 203025758 /nfs/dbraw/zinc/02/57/58/203025758.db2.gz RVWBFWXFRPLMHV-CQSZACIVSA-N 1 2 319.836 2.765 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257303386 203028200 /nfs/dbraw/zinc/02/82/00/203028200.db2.gz SGZQGVRAUCOGQN-CQSZACIVSA-N 1 2 321.388 2.675 40 0 DFABLO c1c[nH]c(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257303386 203028204 /nfs/dbraw/zinc/02/82/04/203028204.db2.gz SGZQGVRAUCOGQN-CQSZACIVSA-N 1 2 321.388 2.675 40 0 DFABLO c1c[nH+]c(CN2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257303386 203028208 /nfs/dbraw/zinc/02/82/08/203028208.db2.gz SGZQGVRAUCOGQN-CQSZACIVSA-N 1 2 321.388 2.675 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cncs3)C2)cc[nH+]1 ZINC000257305806 203029636 /nfs/dbraw/zinc/02/96/36/203029636.db2.gz SRQIGRARNHIEOB-CYBMUJFWSA-N 1 2 316.430 2.624 40 0 DFABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257308624 203035057 /nfs/dbraw/zinc/03/50/57/203035057.db2.gz TXKYSFPNEKWPQQ-QGZVFWFLSA-N 1 2 324.432 2.512 40 0 DFABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257308624 203035060 /nfs/dbraw/zinc/03/50/60/203035060.db2.gz TXKYSFPNEKWPQQ-QGZVFWFLSA-N 1 2 324.432 2.512 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cncs2)[C@H](c2ccccc2)C1 ZINC000257281547 203010943 /nfs/dbraw/zinc/01/09/43/203010943.db2.gz OPSLOUYZPXIYAS-INIZCTEOSA-N 1 2 301.415 2.549 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cncs2)[C@H](c2ccccc2)C1 ZINC000257281547 203010944 /nfs/dbraw/zinc/01/09/44/203010944.db2.gz OPSLOUYZPXIYAS-INIZCTEOSA-N 1 2 301.415 2.549 40 0 DFABLO Cc1nccnc1CC[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000257281608 203011334 /nfs/dbraw/zinc/01/13/34/203011334.db2.gz OQCKYBXUGNBPSW-HNNXBMFYSA-N 1 2 303.431 2.680 40 0 DFABLO Cc1nccnc1CC[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000257281608 203011337 /nfs/dbraw/zinc/01/13/37/203011337.db2.gz OQCKYBXUGNBPSW-HNNXBMFYSA-N 1 2 303.431 2.680 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2c[nH]nc2-c2ccccc2)[nH+]1 ZINC000257332163 203055217 /nfs/dbraw/zinc/05/52/17/203055217.db2.gz XWAADZRDERMELL-INIZCTEOSA-N 1 2 323.400 2.682 40 0 DFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccsc2)CC[N@@H+]1C ZINC000257316431 203040483 /nfs/dbraw/zinc/04/04/83/203040483.db2.gz VFOAQTPLUOXDEL-HNNXBMFYSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccsc2)CC[N@H+]1C ZINC000257316431 203040486 /nfs/dbraw/zinc/04/04/86/203040486.db2.gz VFOAQTPLUOXDEL-HNNXBMFYSA-N 1 2 316.426 2.886 40 0 DFABLO CCSc1ncc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cn1 ZINC000019520511 182127128 /nfs/dbraw/zinc/12/71/28/182127128.db2.gz KNRYYDMBEMGLNI-UHFFFAOYSA-N 1 2 317.462 2.823 40 0 DFABLO CCSc1ncc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cn1 ZINC000019520511 182127129 /nfs/dbraw/zinc/12/71/29/182127129.db2.gz KNRYYDMBEMGLNI-UHFFFAOYSA-N 1 2 317.462 2.823 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2CC2=Cc3ccccc3OC2)[nH+]1 ZINC000257249895 291619468 /nfs/dbraw/zinc/61/94/68/291619468.db2.gz JKEHIQGEJFSWEC-MRXNPFEDSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCS(C)(=O)=O)CC1 ZINC000083202283 542501797 /nfs/dbraw/zinc/50/17/97/542501797.db2.gz DEUZKWSKOLQTIV-UHFFFAOYSA-N 1 2 318.442 2.610 40 0 DFABLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000083202283 542501800 /nfs/dbraw/zinc/50/18/00/542501800.db2.gz DEUZKWSKOLQTIV-UHFFFAOYSA-N 1 2 318.442 2.610 40 0 DFABLO O=C(CCCOc1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000014396148 425772154 /nfs/dbraw/zinc/77/21/54/425772154.db2.gz NOFOJYGIFBPYKK-UHFFFAOYSA-N 1 2 321.808 2.902 40 0 DFABLO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(SC)n1 ZINC000049467420 425879281 /nfs/dbraw/zinc/87/92/81/425879281.db2.gz XPWFTHJTCWWURR-UHFFFAOYSA-N 1 2 304.375 2.701 40 0 DFABLO Cc1[nH+]ccn1Cc1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000079016637 426189142 /nfs/dbraw/zinc/18/91/42/426189142.db2.gz ACNJSQWHPXYVTM-UHFFFAOYSA-N 1 2 319.372 2.518 40 0 DFABLO O=c1cc(Cn2cc[nH+]c2)c2cc(Br)ccc2o1 ZINC000085399429 426251716 /nfs/dbraw/zinc/25/17/16/426251716.db2.gz IFFGFMDWGWHUHK-UHFFFAOYSA-N 1 2 305.131 2.800 40 0 DFABLO Cc1ccc(C[N@@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)o1 ZINC000096068186 426394209 /nfs/dbraw/zinc/39/42/09/426394209.db2.gz RCHIWKZGRISBJN-KRWDZBQOSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(C[N@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)o1 ZINC000096068186 426394211 /nfs/dbraw/zinc/39/42/11/426394211.db2.gz RCHIWKZGRISBJN-KRWDZBQOSA-N 1 2 315.417 2.848 40 0 DFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@@H](COc1cccnc1)C2 ZINC000096187954 426404920 /nfs/dbraw/zinc/40/49/20/426404920.db2.gz JQTSUHZCTRAUPQ-MRXNPFEDSA-N 1 2 324.384 2.582 40 0 DFABLO [NH3+][C@@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccc(F)cc1 ZINC000095533285 426373800 /nfs/dbraw/zinc/37/38/00/426373800.db2.gz RCKUKDFDFPXSIX-OAHLLOKOSA-N 1 2 316.311 2.710 40 0 DFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)cc3)[nH]2)cc1 ZINC000095533656 426374051 /nfs/dbraw/zinc/37/40/51/426374051.db2.gz FGEMBNQBGIUGSV-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(OC)cc3)n2)cc1 ZINC000095533656 426374053 /nfs/dbraw/zinc/37/40/53/426374053.db2.gz FGEMBNQBGIUGSV-OAHLLOKOSA-N 1 2 310.357 2.537 40 0 DFABLO c1csc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096042111 426391423 /nfs/dbraw/zinc/39/14/23/426391423.db2.gz DKVWEQRQDAJYES-YESZJQIVSA-N 1 2 316.426 2.954 40 0 DFABLO c1csc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096042111 426391426 /nfs/dbraw/zinc/39/14/26/426391426.db2.gz DKVWEQRQDAJYES-YESZJQIVSA-N 1 2 316.426 2.954 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096057985 426393176 /nfs/dbraw/zinc/39/31/76/426393176.db2.gz LBQLAJNHWFETRV-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096057985 426393180 /nfs/dbraw/zinc/39/31/80/426393180.db2.gz LBQLAJNHWFETRV-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1csc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC000096258975 426411744 /nfs/dbraw/zinc/41/17/44/426411744.db2.gz VQPPSCPHOJJRRF-UHFFFAOYSA-N 1 2 318.446 2.672 40 0 DFABLO c1csc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC000096258975 426411747 /nfs/dbraw/zinc/41/17/47/426411747.db2.gz VQPPSCPHOJJRRF-UHFFFAOYSA-N 1 2 318.446 2.672 40 0 DFABLO CC(C)OCc1ncn2c1C[N@H+](Cc1ccccn1)CCC2 ZINC000096259947 426412332 /nfs/dbraw/zinc/41/23/32/426412332.db2.gz NBWZCSWKUJEZGB-UHFFFAOYSA-N 1 2 300.406 2.609 40 0 DFABLO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096259947 426412334 /nfs/dbraw/zinc/41/23/34/426412334.db2.gz NBWZCSWKUJEZGB-UHFFFAOYSA-N 1 2 300.406 2.609 40 0 DFABLO Cc1nc(COCc2n[nH]c3c2C[N@H+](CC2CC2)C3)cs1 ZINC000096260238 426412865 /nfs/dbraw/zinc/41/28/65/426412865.db2.gz DLLJKFXFGNODBK-UHFFFAOYSA-N 1 2 304.419 2.617 40 0 DFABLO Cc1nc(COCc2n[nH]c3c2C[N@@H+](CC2CC2)C3)cs1 ZINC000096260238 426412867 /nfs/dbraw/zinc/41/28/67/426412867.db2.gz DLLJKFXFGNODBK-UHFFFAOYSA-N 1 2 304.419 2.617 40 0 DFABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1 ZINC000097953770 426475907 /nfs/dbraw/zinc/47/59/07/426475907.db2.gz KPWQCURJTVNYPG-HRCADAONSA-N 1 2 318.348 2.625 40 0 DFABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1 ZINC000097953770 426475909 /nfs/dbraw/zinc/47/59/09/426475909.db2.gz KPWQCURJTVNYPG-HRCADAONSA-N 1 2 318.348 2.625 40 0 DFABLO CCOC(=O)c1csc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000195579879 426541338 /nfs/dbraw/zinc/54/13/38/426541338.db2.gz VXAXWDISFPIDFP-GFCCVEGCSA-N 1 2 318.402 2.760 40 0 DFABLO CCOc1cc(CNC(=S)Nc2cc[nH+]cc2)ccc1OC ZINC000225771678 426612408 /nfs/dbraw/zinc/61/24/08/426612408.db2.gz QNXXDKLVCOJWBU-UHFFFAOYSA-N 1 2 317.414 2.976 40 0 DFABLO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000246756748 426863073 /nfs/dbraw/zinc/86/30/73/426863073.db2.gz QNCANLXJDTUFFW-BBRMVZONSA-N 1 2 320.339 2.676 40 0 DFABLO COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000246756748 426863076 /nfs/dbraw/zinc/86/30/76/426863076.db2.gz QNCANLXJDTUFFW-BBRMVZONSA-N 1 2 320.339 2.676 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306141123 426913680 /nfs/dbraw/zinc/91/36/80/426913680.db2.gz VLSWPVMNBIPRDR-WBVHZDCISA-N 1 2 317.385 2.581 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306141123 426913687 /nfs/dbraw/zinc/91/36/87/426913687.db2.gz VLSWPVMNBIPRDR-WBVHZDCISA-N 1 2 317.385 2.581 40 0 DFABLO CCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000329034869 427030731 /nfs/dbraw/zinc/03/07/31/427030731.db2.gz RBQFAFMTKIZAON-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO CC[C@H](C)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329050142 427032620 /nfs/dbraw/zinc/03/26/20/427032620.db2.gz UTFJQPJLCTVKSG-ZDUSSCGKSA-N 1 2 323.400 2.798 40 0 DFABLO CC[C@@H](C)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329050140 427033636 /nfs/dbraw/zinc/03/36/36/427033636.db2.gz UTFJQPJLCTVKSG-CYBMUJFWSA-N 1 2 323.400 2.798 40 0 DFABLO CCNc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329071427 427036886 /nfs/dbraw/zinc/03/68/86/427036886.db2.gz ZPQCRYSKDKEMKQ-UHFFFAOYSA-N 1 2 308.307 2.791 40 0 DFABLO Cc1cc(N2CCC[C@H]2c2cc(-c3ncc[nH]3)nc(C)n2)nc[nH+]1 ZINC000257207121 427309907 /nfs/dbraw/zinc/30/99/07/427309907.db2.gz BGLJJWRSYFHXFZ-HNNXBMFYSA-N 1 2 321.388 2.615 40 0 DFABLO Fc1cccnc1C[N@@H+]1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257200896 427310688 /nfs/dbraw/zinc/31/06/88/427310688.db2.gz AFHDZWDWWNWNAL-INIZCTEOSA-N 1 2 311.364 2.991 40 0 DFABLO Fc1cccnc1C[N@H+]1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257200896 427310696 /nfs/dbraw/zinc/31/06/96/427310696.db2.gz AFHDZWDWWNWNAL-INIZCTEOSA-N 1 2 311.364 2.991 40 0 DFABLO Cc1c(CN2Cc3[nH+]ccn3C[C@H]2c2ccccc2)cnn1C ZINC000257206976 427310785 /nfs/dbraw/zinc/31/07/85/427310785.db2.gz BFRWQJWBSMZICE-KRWDZBQOSA-N 1 2 307.401 2.682 40 0 DFABLO CCCn1cc(Cl)c(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257210825 427311113 /nfs/dbraw/zinc/31/11/13/427311113.db2.gz BWIMJUFPDANIKN-LLVKDONJSA-N 1 2 321.812 2.608 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2cccc3cccnc32)[nH+]1 ZINC000257212830 427313656 /nfs/dbraw/zinc/31/36/56/427313656.db2.gz CFDMXKUNXPMEHI-INIZCTEOSA-N 1 2 308.385 2.840 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257234283 427315973 /nfs/dbraw/zinc/31/59/73/427315973.db2.gz GSWHCACZADHEAT-ZDUSSCGKSA-N 1 2 316.405 2.689 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C)[nH]c2=O)cc[nH+]1 ZINC000257223416 427318168 /nfs/dbraw/zinc/31/81/68/427318168.db2.gz DXGXSUPLGHDMMC-AWEZNQCLSA-N 1 2 312.373 2.510 40 0 DFABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ncccc2F)cc(N(C)C)n1 ZINC000257226467 427318486 /nfs/dbraw/zinc/31/84/86/427318486.db2.gz FKSNCNUJJUZNJC-INIZCTEOSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ncccc2F)cc(N(C)C)n1 ZINC000257226467 427318491 /nfs/dbraw/zinc/31/84/91/427318491.db2.gz FKSNCNUJJUZNJC-INIZCTEOSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH+]1 ZINC000257235460 427321546 /nfs/dbraw/zinc/32/15/46/427321546.db2.gz GXZBKJCYTWFJMX-CQSZACIVSA-N 1 2 308.385 2.840 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257235666 427321883 /nfs/dbraw/zinc/32/18/83/427321883.db2.gz GYVMMKOPOOEFPK-AWEZNQCLSA-N 1 2 306.369 2.896 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2CC2=Cc3ccccc3OC2)[nH+]1 ZINC000257249894 427323068 /nfs/dbraw/zinc/32/30/68/427323068.db2.gz JKEHIQGEJFSWEC-INIZCTEOSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257248824 427323578 /nfs/dbraw/zinc/32/35/78/427323578.db2.gz JFJWDULJRDPUOZ-CYBMUJFWSA-N 1 2 319.355 2.945 40 0 DFABLO O=C(Cc1cccnc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257256832 427324323 /nfs/dbraw/zinc/32/43/23/427324323.db2.gz KNBHABYPFDIEIJ-QGZVFWFLSA-N 1 2 318.380 2.604 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000257259300 427329679 /nfs/dbraw/zinc/32/96/79/427329679.db2.gz KXSMJDJWOXPXTB-OAHLLOKOSA-N 1 2 316.380 2.588 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000257259300 427329685 /nfs/dbraw/zinc/32/96/85/427329685.db2.gz KXSMJDJWOXPXTB-OAHLLOKOSA-N 1 2 316.380 2.588 40 0 DFABLO Cc1cc(C)nc(N2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)n1 ZINC000257286084 427331428 /nfs/dbraw/zinc/33/14/28/427331428.db2.gz PKDCZYQCKWRHMB-UHFFFAOYSA-N 1 2 324.432 2.663 40 0 DFABLO CC(C)(C)OC(=O)CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000192278564 427514082 /nfs/dbraw/zinc/51/40/82/427514082.db2.gz SGYKFTICBMVPKT-UHFFFAOYSA-N 1 2 315.373 2.933 40 0 DFABLO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)[nH]1 ZINC000185170083 427608320 /nfs/dbraw/zinc/60/83/20/427608320.db2.gz KHZHQNQMYYQYKU-AWEZNQCLSA-N 1 2 316.405 2.721 40 0 DFABLO CCc1nnc(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)[nH]1 ZINC000185170083 427608325 /nfs/dbraw/zinc/60/83/25/427608325.db2.gz KHZHQNQMYYQYKU-AWEZNQCLSA-N 1 2 316.405 2.721 40 0 DFABLO CC12CN3CC(C)(C[NH+](C1)C3c1ccc(O)c3ncccc13)C2 ZINC000079191548 281612770 /nfs/dbraw/zinc/61/27/70/281612770.db2.gz ZQDDDTAPHWKPJB-UHFFFAOYSA-N 1 2 309.413 2.987 40 0 DFABLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCC(O)CC1 ZINC000194150417 323263131 /nfs/dbraw/zinc/26/31/31/323263131.db2.gz GLWSLLBCZKIFKR-UHFFFAOYSA-N 1 2 303.337 2.501 40 0 DFABLO CCOC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306127597 528940934 /nfs/dbraw/zinc/94/09/34/528940934.db2.gz GDCPUEODNORUGR-GJBLVYBDSA-N 1 2 317.414 2.578 40 0 DFABLO Cc1ccc(-c2ocnc2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000078986646 185141214 /nfs/dbraw/zinc/14/12/14/185141214.db2.gz VHSFZEOPOYFZGX-CQSZACIVSA-N 1 2 324.384 2.913 40 0 DFABLO COc1cccc(C2(C[NH2+][C@@H]3C[C@@H](C)OC3=O)CCCC2)c1 ZINC000079030797 185147535 /nfs/dbraw/zinc/14/75/35/185147535.db2.gz QDGDMIXRMLOLDS-CZUORRHYSA-N 1 2 303.402 2.801 40 0 DFABLO Cc1ccc(-n2cc(C[N@@H+]3CCCN4C(=O)CC[C@]43C)cn2)cc1 ZINC000019659069 398407189 /nfs/dbraw/zinc/40/71/89/398407189.db2.gz WKJWFVKKKFLCFL-IBGZPJMESA-N 1 2 324.428 2.725 40 0 DFABLO Cc1ccc(-n2cc(C[N@H+]3CCCN4C(=O)CC[C@]43C)cn2)cc1 ZINC000019659069 398407192 /nfs/dbraw/zinc/40/71/92/398407192.db2.gz WKJWFVKKKFLCFL-IBGZPJMESA-N 1 2 324.428 2.725 40 0 DFABLO CNc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328955890 529833216 /nfs/dbraw/zinc/83/32/16/529833216.db2.gz ADHCXPQNDYBTGQ-UHFFFAOYSA-N 1 2 308.360 2.780 40 0 DFABLO CO[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273691 398437689 /nfs/dbraw/zinc/43/76/89/398437689.db2.gz DAMABAKSGMRACC-ZBFHGGJFSA-N 1 2 303.381 2.628 40 0 DFABLO CO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273691 398437692 /nfs/dbraw/zinc/43/76/92/398437692.db2.gz DAMABAKSGMRACC-ZBFHGGJFSA-N 1 2 303.381 2.628 40 0 DFABLO CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)[C@H]1Cc1ccccc1 ZINC000585273846 398437418 /nfs/dbraw/zinc/43/74/18/398437418.db2.gz FGVRPGNDYXSKLE-ROUUACIJSA-N 1 2 324.428 2.501 40 0 DFABLO Clc1ccc(-n2nnnc2C[NH+]2CCCCC2)cc1Cl ZINC000004129618 181077294 /nfs/dbraw/zinc/07/72/94/181077294.db2.gz MSZHJMWLOVWRKS-UHFFFAOYSA-N 1 2 312.204 2.955 40 0 DFABLO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000080114138 192003144 /nfs/dbraw/zinc/00/31/44/192003144.db2.gz YECNCYLAMUGHKT-BZNIZROVSA-N 1 2 316.380 2.682 40 0 DFABLO Cc1nnc(C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000081518511 192279721 /nfs/dbraw/zinc/27/97/21/192279721.db2.gz MAVKECPHGZIULR-AAEUAGOBSA-N 1 2 324.425 2.503 40 0 DFABLO Cc1nnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000081518511 192279724 /nfs/dbraw/zinc/27/97/24/192279724.db2.gz MAVKECPHGZIULR-AAEUAGOBSA-N 1 2 324.425 2.503 40 0 DFABLO CC(=O)Oc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000079059192 399012276 /nfs/dbraw/zinc/01/22/76/399012276.db2.gz KBWOSMBOVHPAPB-UHFFFAOYSA-N 1 2 315.373 2.862 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)[nH+]1 ZINC000257300294 203024479 /nfs/dbraw/zinc/02/44/79/203024479.db2.gz RTTFONBGXSEWTF-HNNXBMFYSA-N 1 2 323.400 2.662 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257302670 203027135 /nfs/dbraw/zinc/02/71/35/203027135.db2.gz SDUMYMCIQFLHJS-MRXNPFEDSA-N 1 2 323.400 2.682 40 0 DFABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257302670 203027138 /nfs/dbraw/zinc/02/71/38/203027138.db2.gz SDUMYMCIQFLHJS-MRXNPFEDSA-N 1 2 323.400 2.682 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)[nH+]1 ZINC000257302254 203027944 /nfs/dbraw/zinc/02/79/44/203027944.db2.gz SCDNQLHKUDHQAE-ZDUSSCGKSA-N 1 2 323.400 2.625 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257308023 203032647 /nfs/dbraw/zinc/03/26/47/203032647.db2.gz TVCVCHKGMZTNGO-AWEZNQCLSA-N 1 2 323.400 2.580 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257285317 203011674 /nfs/dbraw/zinc/01/16/74/203011674.db2.gz PGPCAZAHOGMYRL-ZDUSSCGKSA-N 1 2 311.451 2.560 40 0 DFABLO Cc1c[nH]c(-c2cncc([C@@H]3CCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257289970 203015051 /nfs/dbraw/zinc/01/50/51/203015051.db2.gz QAYRIIBFUPHEEJ-HNNXBMFYSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257337247 203060188 /nfs/dbraw/zinc/06/01/88/203060188.db2.gz YSACMCGQTYEULD-OAHLLOKOSA-N 1 2 324.388 2.809 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257337247 203060193 /nfs/dbraw/zinc/06/01/93/203060193.db2.gz YSACMCGQTYEULD-OAHLLOKOSA-N 1 2 324.388 2.809 40 0 DFABLO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H](Cc4ccn[nH]4)C3)c2n1 ZINC000257344594 203067659 /nfs/dbraw/zinc/06/76/59/203067659.db2.gz ZXYKVVCPIBNZQL-HNNXBMFYSA-N 1 2 324.432 2.524 40 0 DFABLO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](Cc4ccn[nH]4)C3)c2n1 ZINC000257344594 203067662 /nfs/dbraw/zinc/06/76/62/203067662.db2.gz ZXYKVVCPIBNZQL-HNNXBMFYSA-N 1 2 324.432 2.524 40 0 DFABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019576621 182131493 /nfs/dbraw/zinc/13/14/93/182131493.db2.gz UOYYXFKLOKHYNF-UHFFFAOYSA-N 1 2 306.369 2.597 40 0 DFABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019576621 182131495 /nfs/dbraw/zinc/13/14/95/182131495.db2.gz UOYYXFKLOKHYNF-UHFFFAOYSA-N 1 2 306.369 2.597 40 0 DFABLO CCn1cc(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)cn1 ZINC000019719623 182138404 /nfs/dbraw/zinc/13/84/04/182138404.db2.gz PMBBJKXTXFJIGC-UHFFFAOYSA-N 1 2 324.384 2.780 40 0 DFABLO CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C)CC1 ZINC000020492648 182224183 /nfs/dbraw/zinc/22/41/83/182224183.db2.gz SNIWXDBHTAVCTH-QGZVFWFLSA-N 1 2 312.413 2.771 40 0 DFABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCn1cc[nH+]c1 ZINC000020495013 182224238 /nfs/dbraw/zinc/22/42/38/182224238.db2.gz DRKRCJLCCIIJSB-MRXNPFEDSA-N 1 2 315.417 2.864 40 0 DFABLO Cc1cc(N(C)C)[nH+]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218664 257125018 /nfs/dbraw/zinc/12/50/18/257125018.db2.gz QTYYMMMCCZMYIT-UHFFFAOYSA-N 1 2 321.421 2.944 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000013265816 425751947 /nfs/dbraw/zinc/75/19/47/425751947.db2.gz NJUCFLRWLMRCQV-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO CC(=O)c1ccc(NC(=S)NCCCc2[nH]cc[nH+]2)cc1 ZINC000013577427 425756664 /nfs/dbraw/zinc/75/66/64/425756664.db2.gz YTQAYEOMOVQSQC-UHFFFAOYSA-N 1 2 302.403 2.532 40 0 DFABLO CC[NH+]1CCN(c2c(Cl)cc(N)cc2Br)CC1 ZINC000045885910 425863227 /nfs/dbraw/zinc/86/32/27/425863227.db2.gz AHNFLGWDHSFTSK-UHFFFAOYSA-N 1 2 318.646 2.827 40 0 DFABLO O=C(NC1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030757605 425832605 /nfs/dbraw/zinc/83/26/05/425832605.db2.gz UOTHCKVDOWOSCA-UHFFFAOYSA-N 1 2 302.418 2.581 40 0 DFABLO O=C1C[N@H+](Cc2ccc3ccccc3n2)CCN1C1CCCC1 ZINC000036753027 425846161 /nfs/dbraw/zinc/84/61/61/425846161.db2.gz USDNYTGRNMUUEX-UHFFFAOYSA-N 1 2 309.413 2.822 40 0 DFABLO O=C1C[N@@H+](Cc2ccc3ccccc3n2)CCN1C1CCCC1 ZINC000036753027 425846162 /nfs/dbraw/zinc/84/61/62/425846162.db2.gz USDNYTGRNMUUEX-UHFFFAOYSA-N 1 2 309.413 2.822 40 0 DFABLO CO[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000083897694 426231127 /nfs/dbraw/zinc/23/11/27/426231127.db2.gz HNKNSVPDWJQQBA-MGPQQGTHSA-N 1 2 306.410 2.604 40 0 DFABLO COC[C@H]1CN(Cc2ccccc2Cl)Cc2[nH+]cn(C)c21 ZINC000096068612 426394310 /nfs/dbraw/zinc/39/43/10/426394310.db2.gz GNHUUNBLRYSAOC-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccccc2Cl)Cc2ncn(C)c21 ZINC000096068612 426394314 /nfs/dbraw/zinc/39/43/14/426394314.db2.gz GNHUUNBLRYSAOC-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccccc2Cl)Cc2ncn(C)c21 ZINC000096068612 426394317 /nfs/dbraw/zinc/39/43/17/426394317.db2.gz GNHUUNBLRYSAOC-CYBMUJFWSA-N 1 2 305.809 2.819 40 0 DFABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3C2)s1 ZINC000096061806 426394961 /nfs/dbraw/zinc/39/49/61/426394961.db2.gz INRLXPDSBNBTME-UHFFFAOYSA-N 1 2 313.430 2.514 40 0 DFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@H](COc1cccnc1)C2 ZINC000096187950 426405045 /nfs/dbraw/zinc/40/50/45/426405045.db2.gz JQTSUHZCTRAUPQ-INIZCTEOSA-N 1 2 324.384 2.582 40 0 DFABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cs1 ZINC000096046325 426391435 /nfs/dbraw/zinc/39/14/35/426391435.db2.gz ZXXYQWBPNNBAOV-VBNZEHGJSA-N 1 2 316.430 2.594 40 0 DFABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cs1 ZINC000096046325 426391437 /nfs/dbraw/zinc/39/14/37/426391437.db2.gz ZXXYQWBPNNBAOV-VBNZEHGJSA-N 1 2 316.430 2.594 40 0 DFABLO COCc1nn(C(C)C)c2c1CC[N@H+](Cc1ccccn1)C2 ZINC000096259908 426410553 /nfs/dbraw/zinc/41/05/53/426410553.db2.gz HHTAOOWQIODBAZ-UHFFFAOYSA-N 1 2 300.406 2.564 40 0 DFABLO COCc1nn(C(C)C)c2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000096259908 426410557 /nfs/dbraw/zinc/41/05/57/426410557.db2.gz HHTAOOWQIODBAZ-UHFFFAOYSA-N 1 2 300.406 2.564 40 0 DFABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 ZINC000096296187 426412201 /nfs/dbraw/zinc/41/22/01/426412201.db2.gz DJZBRDRCFVVXNJ-HNNXBMFYSA-N 1 2 300.406 2.891 40 0 biogenic,in-vitro DFABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 ZINC000096296187 426412203 /nfs/dbraw/zinc/41/22/03/426412203.db2.gz DJZBRDRCFVVXNJ-HNNXBMFYSA-N 1 2 300.406 2.891 40 0 biogenic,in-vitro DFABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000097953769 426475672 /nfs/dbraw/zinc/47/56/72/426475672.db2.gz UJOWCVZRPZQNFK-HRCADAONSA-N 1 2 318.348 2.625 40 0 DFABLO Fc1cccnc1O[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000097953769 426475674 /nfs/dbraw/zinc/47/56/74/426475674.db2.gz UJOWCVZRPZQNFK-HRCADAONSA-N 1 2 318.348 2.625 40 0 DFABLO Cc1cc2nc([C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000100145473 426481250 /nfs/dbraw/zinc/48/12/50/426481250.db2.gz ARPGUVAGINPPOT-OAHLLOKOSA-N 1 2 308.385 2.733 40 0 DFABLO Cc1cc2nc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000100145473 426481252 /nfs/dbraw/zinc/48/12/52/426481252.db2.gz ARPGUVAGINPPOT-OAHLLOKOSA-N 1 2 308.385 2.733 40 0 DFABLO S=C(NCc1nc(-c2ccccc2)no1)Nc1cc[nH+]cc1 ZINC000225814188 426612840 /nfs/dbraw/zinc/61/28/40/426612840.db2.gz PKAUMIJPXUYBQU-UHFFFAOYSA-N 1 2 311.370 2.618 40 0 DFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)no1 ZINC000247894319 426964520 /nfs/dbraw/zinc/96/45/20/426964520.db2.gz GRNOKIWIIXPHCI-AWEZNQCLSA-N 1 2 317.414 2.517 40 0 DFABLO CNc1nc(Nc2ccc3sc(C)nc3c2)cc(C2CC2)[nH+]1 ZINC000328968430 427019259 /nfs/dbraw/zinc/01/92/59/427019259.db2.gz CZBCXSZXXZSCQL-UHFFFAOYSA-N 1 2 311.414 2.901 40 0 DFABLO CC[C@H](C)Nc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000329024800 427027552 /nfs/dbraw/zinc/02/75/52/427027552.db2.gz PBFSUPJNYVVECU-ZDUSSCGKSA-N 1 2 323.400 2.798 40 0 DFABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000329053408 427034242 /nfs/dbraw/zinc/03/42/42/427034242.db2.gz VGLMFJOHZAFVQW-UHFFFAOYSA-N 1 2 324.428 2.841 40 0 DFABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000329053408 427034250 /nfs/dbraw/zinc/03/42/50/427034250.db2.gz VGLMFJOHZAFVQW-UHFFFAOYSA-N 1 2 324.428 2.841 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)n1 ZINC000257222688 427318755 /nfs/dbraw/zinc/31/87/55/427318755.db2.gz DUJBIUUATXZAMS-HNNXBMFYSA-N 1 2 311.385 2.847 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)n1 ZINC000257222688 427318764 /nfs/dbraw/zinc/31/87/64/427318764.db2.gz DUJBIUUATXZAMS-HNNXBMFYSA-N 1 2 311.385 2.847 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257224043 427318800 /nfs/dbraw/zinc/31/88/00/427318800.db2.gz FABKRNHPOKHNGP-OAHLLOKOSA-N 1 2 313.401 2.514 40 0 DFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cscn2)cc[nH+]1 ZINC000257248015 427321439 /nfs/dbraw/zinc/32/14/39/427321439.db2.gz JBRPUZOMBNSEJE-CYBMUJFWSA-N 1 2 302.403 2.581 40 0 DFABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000257242208 427321523 /nfs/dbraw/zinc/32/15/23/427321523.db2.gz IBNJVFXTSACFRT-HNNXBMFYSA-N 1 2 303.431 2.783 40 0 DFABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000257242208 427321528 /nfs/dbraw/zinc/32/15/28/427321528.db2.gz IBNJVFXTSACFRT-HNNXBMFYSA-N 1 2 303.431 2.783 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3cncnc3C)CC2)cc[nH+]1 ZINC000257250511 427324391 /nfs/dbraw/zinc/32/43/91/427324391.db2.gz JMVPMZWMKMWRSL-UHFFFAOYSA-N 1 2 310.401 2.583 40 0 DFABLO CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C)cn3)C2)cn1 ZINC000257248393 427325648 /nfs/dbraw/zinc/32/56/48/427325648.db2.gz JDLKSPGZJYDLHA-QGZVFWFLSA-N 1 2 300.406 2.570 40 0 DFABLO CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(C)cn3)C2)cn1 ZINC000257248393 427325657 /nfs/dbraw/zinc/32/56/57/427325657.db2.gz JDLKSPGZJYDLHA-QGZVFWFLSA-N 1 2 300.406 2.570 40 0 DFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cncs2)cc[nH+]1 ZINC000257250760 427326082 /nfs/dbraw/zinc/32/60/82/427326082.db2.gz JNXAVKXVYRXUDS-GFCCVEGCSA-N 1 2 302.403 2.581 40 0 DFABLO CN(C)c1ccc2cc(NC(=O)CCc3c[nH+]c[nH]3)ccc2n1 ZINC000192189803 323240641 /nfs/dbraw/zinc/24/06/41/323240641.db2.gz PCNIAUNJPGVJGO-UHFFFAOYSA-N 1 2 309.373 2.595 40 0 DFABLO CN(C)c1ccc2cc(NC(=O)CCc3c[nH]c[nH+]3)ccc2n1 ZINC000192189803 323240645 /nfs/dbraw/zinc/24/06/45/323240645.db2.gz PCNIAUNJPGVJGO-UHFFFAOYSA-N 1 2 309.373 2.595 40 0 DFABLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ncc(-c2ccccc2)o1 ZINC000193322998 323253512 /nfs/dbraw/zinc/25/35/12/323253512.db2.gz DFHVHLFUXODTDR-GFCCVEGCSA-N 1 2 310.357 2.875 40 0 DFABLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ncc(-c2ccccc2)o1 ZINC000193322998 323253516 /nfs/dbraw/zinc/25/35/16/323253516.db2.gz DFHVHLFUXODTDR-GFCCVEGCSA-N 1 2 310.357 2.875 40 0 DFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1cccn1C)C2 ZINC000257243221 333806108 /nfs/dbraw/zinc/80/61/08/333806108.db2.gz IFYBMDBEYXOVGD-KRWDZBQOSA-N 1 2 320.396 2.927 40 0 DFABLO O=S(=O)(Nc1cc[nH+]cc1)c1cccc(Br)c1 ZINC000037385853 527255550 /nfs/dbraw/zinc/25/55/50/527255550.db2.gz ICOOOAVLTGLQTB-UHFFFAOYSA-N 1 2 313.176 2.645 40 0 DFABLO CSC(C)(C)CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078942029 185132428 /nfs/dbraw/zinc/13/24/28/185132428.db2.gz BJKVFYWKZSGYLS-UHFFFAOYSA-N 1 2 318.446 2.813 40 0 DFABLO O=C(NCc1[nH]cc[nH+]1)c1cc(Cl)ccc1OC(F)F ZINC000079013215 185146546 /nfs/dbraw/zinc/14/65/46/185146546.db2.gz AJVAYPYRIWHRHA-UHFFFAOYSA-N 1 2 301.680 2.595 40 0 DFABLO C[C@@H](CCc1ccccc1)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000079109281 185158716 /nfs/dbraw/zinc/15/87/16/185158716.db2.gz PBLSBRXJUQVQOF-ZDUSSCGKSA-N 1 2 308.389 2.678 40 0 DFABLO O=C(C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)NC1CC1 ZINC000079111153 185158999 /nfs/dbraw/zinc/15/89/99/185158999.db2.gz GBXSSNSOFLQUTO-KRWDZBQOSA-N 1 2 315.804 2.693 40 0 DFABLO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000012246335 398385725 /nfs/dbraw/zinc/38/57/25/398385725.db2.gz KFIHFHUAYUNXQY-GFCCVEGCSA-N 1 2 301.419 2.807 40 0 DFABLO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000012246335 398385727 /nfs/dbraw/zinc/38/57/27/398385727.db2.gz KFIHFHUAYUNXQY-GFCCVEGCSA-N 1 2 301.419 2.807 40 0 DFABLO COCCC(=O)N1CCCC[C@@H]1c1[nH+]c(C)n2ccsc12 ZINC000585178902 398437487 /nfs/dbraw/zinc/43/74/87/398437487.db2.gz KAJQQTPNSSYLFK-GFCCVEGCSA-N 1 2 307.419 2.794 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000072351367 191128398 /nfs/dbraw/zinc/12/83/98/191128398.db2.gz QHJHZTPJIJJRHN-HNNXBMFYSA-N 1 2 316.380 2.588 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000072351367 191128400 /nfs/dbraw/zinc/12/84/00/191128400.db2.gz QHJHZTPJIJJRHN-HNNXBMFYSA-N 1 2 316.380 2.588 40 0 DFABLO Cc1ccc(SCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047465688 398751062 /nfs/dbraw/zinc/75/10/62/398751062.db2.gz SNKQBNAAVYDEHG-UHFFFAOYSA-N 1 2 303.431 2.880 40 0 DFABLO Cc1cnc(N(C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000194323804 201202982 /nfs/dbraw/zinc/20/29/82/201202982.db2.gz BMVGOQPXQIVZLF-UHFFFAOYSA-N 1 2 309.211 2.876 40 0 DFABLO Cc1cc(N2CCC[C@@H]2c2cc(-c3ncc[nH]3)nc(C)n2)nc[nH+]1 ZINC000257207122 202943946 /nfs/dbraw/zinc/94/39/46/202943946.db2.gz BGLJJWRSYFHXFZ-OAHLLOKOSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)[nH+]1 ZINC000257273707 203000852 /nfs/dbraw/zinc/00/08/52/203000852.db2.gz NHUWZLCBKARNAL-CQSZACIVSA-N 1 2 301.365 2.806 40 0 DFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257302746 203028005 /nfs/dbraw/zinc/02/80/05/203028005.db2.gz SEDHJBQFJREZQR-QGZVFWFLSA-N 1 2 312.417 2.540 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257294411 203018528 /nfs/dbraw/zinc/01/85/28/203018528.db2.gz QTZVNCJMNGSCRK-QGZVFWFLSA-N 1 2 309.413 2.765 40 0 DFABLO O=C(Cc1cccnc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257293126 203019306 /nfs/dbraw/zinc/01/93/06/203019306.db2.gz QOFSSORTELYVRC-UHFFFAOYSA-N 1 2 320.396 2.678 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257343710 203063958 /nfs/dbraw/zinc/06/39/58/203063958.db2.gz ZUCQWOBVHONOEG-ZDUSSCGKSA-N 1 2 303.431 2.739 40 0 DFABLO CCc1nc(COC(=O)c2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000195576389 399187777 /nfs/dbraw/zinc/18/77/77/399187777.db2.gz MUKBGDNMSLQHMS-UHFFFAOYSA-N 1 2 314.370 2.643 40 0 DFABLO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2OCc2ccccc2)no1 ZINC000195570314 399187994 /nfs/dbraw/zinc/18/79/94/399187994.db2.gz RWBYFJMBXHWAMN-CVEARBPZSA-N 1 2 301.390 2.996 40 0 DFABLO CC(C)(C)NC(=O)Cn1c[nH+]cc1-c1cnn(-c2ccccc2)c1 ZINC000019719704 182138458 /nfs/dbraw/zinc/13/84/58/182138458.db2.gz RUZVNXDAQQGANS-UHFFFAOYSA-N 1 2 323.400 2.651 40 0 DFABLO CCOC(=O)c1c[nH+]c2c(cccc2C(C)C)c1NCCO ZINC000062719808 184250394 /nfs/dbraw/zinc/25/03/94/184250394.db2.gz FVKQEUNKDSRJBE-UHFFFAOYSA-N 1 2 302.374 2.939 40 0 DFABLO Cn1c2c([nH+]c1C1CC1)CN(c1cnc3ccccc3n1)CC2 ZINC000084310974 542507735 /nfs/dbraw/zinc/50/77/35/542507735.db2.gz NJJRUCYNYHFHCH-UHFFFAOYSA-N 1 2 305.385 2.803 40 0 DFABLO COc1ccc([NH2+]CCc2nc(-c3cccc(N)c3)n[nH]2)cc1 ZINC000062719288 257129113 /nfs/dbraw/zinc/12/91/13/257129113.db2.gz MSNFWALEEZAJSV-UHFFFAOYSA-N 1 2 309.373 2.717 40 0 DFABLO CC(C)C[N@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000575421395 543451902 /nfs/dbraw/zinc/45/19/02/543451902.db2.gz QBLVUNNJVHCWJX-CQSZACIVSA-N 1 2 315.866 2.985 40 0 DFABLO CC(C)C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000575421395 543451904 /nfs/dbraw/zinc/45/19/04/543451904.db2.gz QBLVUNNJVHCWJX-CQSZACIVSA-N 1 2 315.866 2.985 40 0 DFABLO CCc1[nH+]c2cc(NC(=O)c3cc(C4CC4)nn3C)ccc2n1C ZINC000012147368 425719624 /nfs/dbraw/zinc/71/96/24/425719624.db2.gz ZSPGPHVOHODXAL-UHFFFAOYSA-N 1 2 323.400 2.999 40 0 DFABLO COc1cc2sc(NC(=O)Cn3cc[nH+]c3)nc2cc1Cl ZINC000019550667 425789979 /nfs/dbraw/zinc/78/99/79/425789979.db2.gz CAZQWUJVUOOFFJ-UHFFFAOYSA-N 1 2 322.777 2.794 40 0 DFABLO CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21[NH2+]CCO1 ZINC000022238443 425797167 /nfs/dbraw/zinc/79/71/67/425797167.db2.gz QCAYOGHBCBLICE-ADLMAVQZSA-N 1 2 300.402 2.654 40 0 DFABLO CCOc1ccccc1C(=O)NC[N@@H+]1CCc2ccccc2C1 ZINC000036646322 425845897 /nfs/dbraw/zinc/84/58/97/425845897.db2.gz UXMKYLOOFICPRA-UHFFFAOYSA-N 1 2 310.397 2.831 40 0 biogenic,in-vitro DFABLO CCOc1ccccc1C(=O)NC[N@H+]1CCc2ccccc2C1 ZINC000036646322 425845898 /nfs/dbraw/zinc/84/58/98/425845898.db2.gz UXMKYLOOFICPRA-UHFFFAOYSA-N 1 2 310.397 2.831 40 0 biogenic,in-vitro DFABLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000084090866 426231990 /nfs/dbraw/zinc/23/19/90/426231990.db2.gz BCNAIMLASQAXKQ-OCCSQVGLSA-N 1 2 316.492 2.548 40 0 DFABLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000084090866 426231993 /nfs/dbraw/zinc/23/19/93/426231993.db2.gz BCNAIMLASQAXKQ-OCCSQVGLSA-N 1 2 316.492 2.548 40 0 DFABLO C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084092504 426232172 /nfs/dbraw/zinc/23/21/72/426232172.db2.gz TYOSXKZONSILCW-IRXDYDNUSA-N 1 2 318.442 2.632 40 0 DFABLO C[N@@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084092504 426232174 /nfs/dbraw/zinc/23/21/74/426232174.db2.gz TYOSXKZONSILCW-IRXDYDNUSA-N 1 2 318.442 2.632 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2nn(CC3CC3)cc21 ZINC000096060443 426394858 /nfs/dbraw/zinc/39/48/58/426394858.db2.gz GNSJPSOTGDVQOA-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2nn(CC3CC3)cc21 ZINC000096060443 426394860 /nfs/dbraw/zinc/39/48/60/426394860.db2.gz GNSJPSOTGDVQOA-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO COCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096084922 426397059 /nfs/dbraw/zinc/39/70/59/426397059.db2.gz KVJUOTVWOBMEQS-UHFFFAOYSA-N 1 2 301.390 2.591 40 0 DFABLO COCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096084922 426397063 /nfs/dbraw/zinc/39/70/63/426397063.db2.gz KVJUOTVWOBMEQS-UHFFFAOYSA-N 1 2 301.390 2.591 40 0 DFABLO CC1(C[N@@H+]2CCc3sc(Br)cc3C2)COC1 ZINC000095097544 426366030 /nfs/dbraw/zinc/36/60/30/426366030.db2.gz IRRQSIFUAJWASU-UHFFFAOYSA-N 1 2 302.237 2.905 40 0 DFABLO CC1(C[N@H+]2CCc3sc(Br)cc3C2)COC1 ZINC000095097544 426366033 /nfs/dbraw/zinc/36/60/33/426366033.db2.gz IRRQSIFUAJWASU-UHFFFAOYSA-N 1 2 302.237 2.905 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)co1 ZINC000096041811 426390595 /nfs/dbraw/zinc/39/05/95/426390595.db2.gz NFJYMUVAWBPCNE-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)co1 ZINC000096041811 426390599 /nfs/dbraw/zinc/39/05/99/426390599.db2.gz NFJYMUVAWBPCNE-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1ccoc1)C2 ZINC000096044892 426391123 /nfs/dbraw/zinc/39/11/23/426391123.db2.gz WQFDYEZVEUEUJK-HNNXBMFYSA-N 1 2 301.390 2.539 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041779 426391546 /nfs/dbraw/zinc/39/15/46/426391546.db2.gz OJQBRHPZJOZFIJ-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096041779 426391547 /nfs/dbraw/zinc/39/15/47/426391547.db2.gz OJQBRHPZJOZFIJ-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO O=C(N1CCCC1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216813 426407411 /nfs/dbraw/zinc/40/74/11/426407411.db2.gz NCURYMUZCDXWTO-SFHVURJKSA-N 1 2 314.433 2.590 40 0 DFABLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@@H]3C[C@H]4CC[C@@H]3O4)c12 ZINC000096468217 426431913 /nfs/dbraw/zinc/43/19/13/426431913.db2.gz OUFVUHRKTXUPRH-YUELXQCFSA-N 1 2 307.357 2.547 40 0 DFABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccncc1 ZINC000225455592 426601611 /nfs/dbraw/zinc/60/16/11/426601611.db2.gz BFFDDAGLANQWAE-UHFFFAOYSA-N 1 2 309.398 2.754 40 0 DFABLO S=C(NCc1nc(-c2cccs2)no1)Nc1cc[nH+]cc1 ZINC000225827924 426613762 /nfs/dbraw/zinc/61/37/62/426613762.db2.gz SATGRHOSVVXVDP-UHFFFAOYSA-N 1 2 317.399 2.680 40 0 DFABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000216452245 426559855 /nfs/dbraw/zinc/55/98/55/426559855.db2.gz UCYLWUGDBMWZGU-OAHLLOKOSA-N 1 2 321.808 2.900 40 0 DFABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000216452294 426560251 /nfs/dbraw/zinc/56/02/51/426560251.db2.gz UCYLWUGDBMWZGU-HNNXBMFYSA-N 1 2 321.808 2.900 40 0 DFABLO CCNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328970309 427019861 /nfs/dbraw/zinc/01/98/61/427019861.db2.gz DIKZJIUWWOJZQS-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3cccs3)C2)[nH+]1 ZINC000257203104 427311303 /nfs/dbraw/zinc/31/13/03/427311303.db2.gz AOSHKUBYJWPZPX-CYBMUJFWSA-N 1 2 303.431 2.739 40 0 DFABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)cc(N(C)C)n1 ZINC000257213505 427313112 /nfs/dbraw/zinc/31/31/12/427313112.db2.gz CHVNAEYIFUZYPT-MRXNPFEDSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(F)cn2)cc(N(C)C)n1 ZINC000257213505 427313120 /nfs/dbraw/zinc/31/31/20/427313120.db2.gz CHVNAEYIFUZYPT-MRXNPFEDSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4ncccc4c3)C2)[nH+]1 ZINC000257215747 427314570 /nfs/dbraw/zinc/31/45/70/427314570.db2.gz CRLZRLFOWSOXDR-MRXNPFEDSA-N 1 2 320.396 2.906 40 0 DFABLO Cc1nc(N2CCC3(C[C@H](Cc4ccccn4)CO3)CC2)cc[nH+]1 ZINC000257230322 427316463 /nfs/dbraw/zinc/31/64/63/427316463.db2.gz GBSYYSFEXHGVKS-INIZCTEOSA-N 1 2 324.428 2.798 40 0 DFABLO c1cc([C@@H]2CCCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n[nH]1 ZINC000257225100 427316952 /nfs/dbraw/zinc/31/69/52/427316952.db2.gz FEUPTMCLRPASJE-INIZCTEOSA-N 1 2 312.421 2.527 40 0 DFABLO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n[nH]1 ZINC000257225100 427316959 /nfs/dbraw/zinc/31/69/59/427316959.db2.gz FEUPTMCLRPASJE-INIZCTEOSA-N 1 2 312.421 2.527 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000257246038 427319968 /nfs/dbraw/zinc/31/99/68/427319968.db2.gz ISEGPRPHUJCCLP-AWEZNQCLSA-N 1 2 305.422 2.509 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)cc[nH+]1 ZINC000257240502 427320436 /nfs/dbraw/zinc/32/04/36/427320436.db2.gz HTTYRPHSSWMKQW-HNNXBMFYSA-N 1 2 323.400 2.768 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257253057 427324785 /nfs/dbraw/zinc/32/47/85/427324785.db2.gz JXKOIDCRGWTZMU-LBPRGKRZSA-N 1 2 315.421 2.759 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cncs2)cc[nH+]1 ZINC000257250761 427325198 /nfs/dbraw/zinc/32/51/98/427325198.db2.gz JNXAVKXVYRXUDS-LBPRGKRZSA-N 1 2 302.403 2.581 40 0 DFABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257308623 427332287 /nfs/dbraw/zinc/33/22/87/427332287.db2.gz TXKYSFPNEKWPQQ-KRWDZBQOSA-N 1 2 324.432 2.512 40 0 DFABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)n1 ZINC000257308623 427332294 /nfs/dbraw/zinc/33/22/94/427332294.db2.gz TXKYSFPNEKWPQQ-KRWDZBQOSA-N 1 2 324.432 2.512 40 0 DFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000257271755 427333239 /nfs/dbraw/zinc/33/32/39/427333239.db2.gz MZRLZBSAOCIJPP-INIZCTEOSA-N 1 2 324.384 2.545 40 0 DFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000257271755 427333248 /nfs/dbraw/zinc/33/32/48/427333248.db2.gz MZRLZBSAOCIJPP-INIZCTEOSA-N 1 2 324.384 2.545 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2csc(C)n2)C[C@H]1c1ccccc1 ZINC000257285551 427333775 /nfs/dbraw/zinc/33/37/75/427333775.db2.gz PHRSNAAKVQEKBE-KRWDZBQOSA-N 1 2 315.442 2.857 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2csc(C)n2)C[C@H]1c1ccccc1 ZINC000257285551 427333782 /nfs/dbraw/zinc/33/37/82/427333782.db2.gz PHRSNAAKVQEKBE-KRWDZBQOSA-N 1 2 315.442 2.857 40 0 DFABLO CNc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000329051448 277302367 /nfs/dbraw/zinc/30/23/67/277302367.db2.gz UXMYHQBREAOTCQ-UHFFFAOYSA-N 1 2 319.206 2.844 40 0 DFABLO CNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000329051448 277302369 /nfs/dbraw/zinc/30/23/69/277302369.db2.gz UXMYHQBREAOTCQ-UHFFFAOYSA-N 1 2 319.206 2.844 40 0 DFABLO Cc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCC(=O)N2CCC(C)C ZINC000072371095 279106353 /nfs/dbraw/zinc/10/63/53/279106353.db2.gz VARXXDABGITYGM-HNNXBMFYSA-N 1 2 316.449 2.877 40 0 DFABLO Cc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCC(=O)N2CCC(C)C ZINC000072371095 279106356 /nfs/dbraw/zinc/10/63/56/279106356.db2.gz VARXXDABGITYGM-HNNXBMFYSA-N 1 2 316.449 2.877 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257214816 280279332 /nfs/dbraw/zinc/27/93/32/280279332.db2.gz CNNOBDZDPZTERU-AWEZNQCLSA-N 1 2 323.400 2.694 40 0 DFABLO Cc1cccc2ncnc(N3CCC([C@@H](O)c4[nH]cc[nH+]4)CC3)c12 ZINC000302791594 281322748 /nfs/dbraw/zinc/32/27/48/281322748.db2.gz YUUBMFWQLMHFPP-MRXNPFEDSA-N 1 2 323.400 2.611 40 0 DFABLO CC(C)N(CC1CCC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000193393206 323254440 /nfs/dbraw/zinc/25/44/40/323254440.db2.gz MPLPXWQJATYJBI-UHFFFAOYSA-N 1 2 304.438 2.868 40 0 DFABLO Cc1ccc(C[N@@H+]2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306131556 533960582 /nfs/dbraw/zinc/96/05/82/533960582.db2.gz KIPXNUSOCUTRTN-GDBMZVCRSA-N 1 2 319.451 2.812 40 0 DFABLO Cc1ccc(C[N@H+]2C[C@@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306131556 533960587 /nfs/dbraw/zinc/96/05/87/533960587.db2.gz KIPXNUSOCUTRTN-GDBMZVCRSA-N 1 2 319.451 2.812 40 0 DFABLO CCNc1nc(NCc2ccccc2C)cc(-c2ccncc2)[nH+]1 ZINC000329007662 527996043 /nfs/dbraw/zinc/99/60/43/527996043.db2.gz LMKQXWWVBUBVSV-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078911110 185127282 /nfs/dbraw/zinc/12/72/82/185127282.db2.gz RMCUWEUAZRVWIF-OLZOCXBDSA-N 1 2 323.318 2.859 40 0 DFABLO COc1cccc(C2(C[NH2+][C@@H]3C[C@H](C)OC3=O)CCCC2)c1 ZINC000079030800 185147515 /nfs/dbraw/zinc/14/75/15/185147515.db2.gz QDGDMIXRMLOLDS-XJKSGUPXSA-N 1 2 303.402 2.801 40 0 DFABLO CCOC(=O)N1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000096837483 185389096 /nfs/dbraw/zinc/38/90/96/185389096.db2.gz NTWGYFBFZNYIOX-UHFFFAOYSA-N 1 2 317.364 2.648 40 0 DFABLO CNc1nc(Nc2ccccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000328968563 529833556 /nfs/dbraw/zinc/83/35/56/529833556.db2.gz DARYUDPEHJQWOX-UHFFFAOYSA-N 1 2 306.369 2.781 40 0 DFABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CC2)n1 ZINC000329002835 529834693 /nfs/dbraw/zinc/83/46/93/529834693.db2.gz KJUVTPOWWVRVTN-UHFFFAOYSA-N 1 2 324.306 2.502 40 0 DFABLO CCC[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585112976 398433343 /nfs/dbraw/zinc/43/33/43/398433343.db2.gz XKXJRWWOTRIXBB-BETUJISGSA-N 1 2 305.422 2.561 40 0 DFABLO CCC[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585112976 398433347 /nfs/dbraw/zinc/43/33/47/398433347.db2.gz XKXJRWWOTRIXBB-BETUJISGSA-N 1 2 305.422 2.561 40 0 DFABLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)Oc2cccc(F)c2)c[nH+]1 ZINC000585141275 398435829 /nfs/dbraw/zinc/43/58/29/398435829.db2.gz RZAYHPXEMUZDQD-CYBMUJFWSA-N 1 2 319.380 2.649 40 0 DFABLO Cc1c[nH]c(-c2cnc([C@@H]3CCCN3c3cc(C)[nH+]cn3)cn2)n1 ZINC000585178824 398437497 /nfs/dbraw/zinc/43/74/97/398437497.db2.gz GHCMDHWUMPFGRS-HNNXBMFYSA-N 1 2 321.388 2.615 40 0 DFABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccncc3)[nH]2)c1 ZINC000072346448 191128071 /nfs/dbraw/zinc/12/80/71/191128071.db2.gz YKMWFIKUQBDUPI-HNNXBMFYSA-N 1 2 306.373 2.599 40 0 DFABLO c1cncc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccncc3)[nH]2)c1 ZINC000072346448 191128073 /nfs/dbraw/zinc/12/80/73/191128073.db2.gz YKMWFIKUQBDUPI-HNNXBMFYSA-N 1 2 306.373 2.599 40 0 DFABLO CC(=O)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072355399 191128656 /nfs/dbraw/zinc/12/86/56/191128656.db2.gz LHRCYWWGYGVFHQ-CQSZACIVSA-N 1 2 313.405 2.512 40 0 DFABLO CS(=O)(=O)N1CCC[C@H](c2cccc(NC3CCCC3)[nH+]2)C1 ZINC000072364693 191133195 /nfs/dbraw/zinc/13/31/95/191133195.db2.gz AIWLIOMPBYMNGB-ZDUSSCGKSA-N 1 2 323.462 2.575 40 0 DFABLO CN1Cc2ccccc2CC2(CCN(c3cccc[nH+]3)CC2)C1=O ZINC000096063609 283253557 /nfs/dbraw/zinc/25/35/57/283253557.db2.gz GRAJOJNGQIUXMT-UHFFFAOYSA-N 1 2 321.424 2.883 40 0 DFABLO O=C(N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cscn1 ZINC000078987351 399005173 /nfs/dbraw/zinc/00/51/73/399005173.db2.gz GMXTXVRXEKLEIG-HZPDHXFCSA-N 1 2 324.409 2.998 40 0 DFABLO C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1 ZINC000079463606 399048213 /nfs/dbraw/zinc/04/82/13/399048213.db2.gz PHXGIGDPIVBQTE-UHFFFAOYSA-N 1 2 322.405 2.824 40 0 DFABLO C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1 ZINC000079463606 399048217 /nfs/dbraw/zinc/04/82/17/399048217.db2.gz PHXGIGDPIVBQTE-UHFFFAOYSA-N 1 2 322.405 2.824 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@H]1c1[nH+]c(C)cn1C ZINC000257272727 203002288 /nfs/dbraw/zinc/00/22/88/203002288.db2.gz NDODWKNMJNJQEP-ZDUSSCGKSA-N 1 2 302.378 2.565 40 0 DFABLO Cn1c[nH+]cc1CN1CCOC[C@@H](Cc2ccccc2Cl)C1 ZINC000257300830 203025128 /nfs/dbraw/zinc/02/51/28/203025128.db2.gz RVWBFWXFRPLMHV-AWEZNQCLSA-N 1 2 319.836 2.765 40 0 DFABLO COc1cccc(CC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257304864 203030619 /nfs/dbraw/zinc/03/06/19/203030619.db2.gz SNLLFJKAXDLDOW-HNNXBMFYSA-N 1 2 313.401 2.675 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257307449 203033147 /nfs/dbraw/zinc/03/31/47/203033147.db2.gz SYRDJHFRJPCGNQ-MRXNPFEDSA-N 1 2 322.412 2.649 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257307449 203033150 /nfs/dbraw/zinc/03/31/50/203033150.db2.gz SYRDJHFRJPCGNQ-MRXNPFEDSA-N 1 2 322.412 2.649 40 0 DFABLO c1c[nH]c(-c2cnc(C3CCN(c4cccc[nH+]4)CC3)cn2)n1 ZINC000257283408 203009677 /nfs/dbraw/zinc/00/96/77/203009677.db2.gz OYEINHVECQPHEZ-UHFFFAOYSA-N 1 2 306.373 2.646 40 0 DFABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257287677 203014215 /nfs/dbraw/zinc/01/42/15/203014215.db2.gz PRAVTBKBBWLHGL-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257287677 203014219 /nfs/dbraw/zinc/01/42/19/203014219.db2.gz PRAVTBKBBWLHGL-MRXNPFEDSA-N 1 2 316.430 2.511 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257291679 203018026 /nfs/dbraw/zinc/01/80/26/203018026.db2.gz QIDRRZBQIOJVPR-GOSISDBHSA-N 1 2 323.440 2.776 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257294410 203018692 /nfs/dbraw/zinc/01/86/92/203018692.db2.gz QTZVNCJMNGSCRK-KRWDZBQOSA-N 1 2 309.413 2.765 40 0 DFABLO CNc1cc([C@@H]2CCCN(C(=O)c3cscn3)C2)cc[nH+]1 ZINC000257294774 203019604 /nfs/dbraw/zinc/01/96/04/203019604.db2.gz QVQYTFYZCUUUHF-GFCCVEGCSA-N 1 2 302.403 2.600 40 0 DFABLO O[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 ZINC000195560608 399186260 /nfs/dbraw/zinc/18/62/60/399186260.db2.gz MBDJYMICKPBJSC-GDBMZVCRSA-N 1 2 313.332 2.621 40 0 DFABLO O[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 ZINC000195560606 399187021 /nfs/dbraw/zinc/18/70/21/399187021.db2.gz MBDJYMICKPBJSC-GOEBONIOSA-N 1 2 313.332 2.621 40 0 DFABLO Cc1ccc([C@@H](NC(=O)Cn2cc[nH+]c2)c2ccncc2)cc1C ZINC000019213581 182107488 /nfs/dbraw/zinc/10/74/88/182107488.db2.gz PIMJVTKHJPAYGC-IBGZPJMESA-N 1 2 320.396 2.801 40 0 DFABLO Cc1ccc(Nc2nc(C(=O)N3CC[NH+](C)CC3)cs2)cc1 ZINC000020029408 182181183 /nfs/dbraw/zinc/18/11/83/182181183.db2.gz RHXWSIBIVYLPDL-UHFFFAOYSA-N 1 2 316.430 2.583 40 0 DFABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000020107767 182187751 /nfs/dbraw/zinc/18/77/51/182187751.db2.gz JZWUBAFURNLXGZ-AWEZNQCLSA-N 1 2 312.866 2.985 40 0 DFABLO CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000020112248 182188661 /nfs/dbraw/zinc/18/86/61/182188661.db2.gz KHEUGGSXIQDHKY-UHFFFAOYSA-N 1 2 316.445 2.924 40 0 DFABLO CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000020458990 182220231 /nfs/dbraw/zinc/22/02/31/182220231.db2.gz CWPMOYGPKDFRSP-UHFFFAOYSA-N 1 2 310.397 2.795 40 0 DFABLO Cc1cc(C(=O)CCCCNC(=O)OC(C)(C)C)c[nH+]c1N ZINC000072218480 257124193 /nfs/dbraw/zinc/12/41/93/257124193.db2.gz JULPUIQKNYCBJT-UHFFFAOYSA-N 1 2 307.394 2.850 40 0 DFABLO Cc1[nH+]c(N(C)C)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072218724 257124581 /nfs/dbraw/zinc/12/45/81/257124581.db2.gz RYGNZJSUMNMEHV-UHFFFAOYSA-N 1 2 321.421 2.944 40 0 DFABLO CC(C)C[N@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000575421394 543452022 /nfs/dbraw/zinc/45/20/22/543452022.db2.gz QBLVUNNJVHCWJX-AWEZNQCLSA-N 1 2 315.866 2.985 40 0 DFABLO CC(C)C[N@@H+](Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000575421394 543452025 /nfs/dbraw/zinc/45/20/25/543452025.db2.gz QBLVUNNJVHCWJX-AWEZNQCLSA-N 1 2 315.866 2.985 40 0 DFABLO O=C(Cc1cccc(F)c1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130940533 196124751 /nfs/dbraw/zinc/12/47/51/196124751.db2.gz RSBVBIBXRCSHQH-INIZCTEOSA-N 1 2 313.376 2.548 40 0 DFABLO Cc1ccc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000131204114 196149680 /nfs/dbraw/zinc/14/96/80/196149680.db2.gz PRYDWYFOAOGLQB-AWEZNQCLSA-N 1 2 315.442 2.779 40 0 DFABLO Nc1nc[nH+]c(N)c1NC(=O)c1cccc(-c2ccccc2)c1 ZINC000001750910 425587555 /nfs/dbraw/zinc/58/75/55/425587555.db2.gz HHCBKSGZRQUYPM-UHFFFAOYSA-N 1 2 305.341 2.560 40 0 DFABLO Cn1cc[nH+]c1[C@H](NC(=O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000012114994 425718592 /nfs/dbraw/zinc/71/85/92/425718592.db2.gz RTQFFYJSGAQFIK-CYBMUJFWSA-N 1 2 307.344 2.950 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000013566360 425757036 /nfs/dbraw/zinc/75/70/36/425757036.db2.gz NZIQQZSGBIVGEK-AWEZNQCLSA-N 1 2 314.433 2.797 40 0 DFABLO CN(C(=O)c1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000030857549 425832787 /nfs/dbraw/zinc/83/27/87/425832787.db2.gz KIVPGLKXLCPZPB-UHFFFAOYSA-N 1 2 302.418 2.533 40 0 DFABLO Cc1[nH+]ccn1-c1ncc(NC(=O)/C=C/c2ccccc2)cn1 ZINC000085470429 426252289 /nfs/dbraw/zinc/25/22/89/426252289.db2.gz HBZTVQQRICVCLG-BQYQJAHWSA-N 1 2 305.341 2.623 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)co1 ZINC000096057996 426394236 /nfs/dbraw/zinc/39/42/36/426394236.db2.gz MGCPAHUJWWSBOD-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)co1 ZINC000096057996 426394237 /nfs/dbraw/zinc/39/42/37/426394237.db2.gz MGCPAHUJWWSBOD-RCCFBDPRSA-N 1 2 314.385 2.623 40 0 DFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@@H](COCC1CC1)C2 ZINC000096187878 426404616 /nfs/dbraw/zinc/40/46/16/426404616.db2.gz RZFAUQPLVMZMLZ-MRXNPFEDSA-N 1 2 301.390 2.535 40 0 DFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@@H](COCC1CC1)C2 ZINC000096187878 426404618 /nfs/dbraw/zinc/40/46/18/426404618.db2.gz RZFAUQPLVMZMLZ-MRXNPFEDSA-N 1 2 301.390 2.535 40 0 DFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@@H](COCC1CC1)C2 ZINC000096187878 426404620 /nfs/dbraw/zinc/40/46/20/426404620.db2.gz RZFAUQPLVMZMLZ-MRXNPFEDSA-N 1 2 301.390 2.535 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2c1cnn2CC1CC1 ZINC000096197910 426406353 /nfs/dbraw/zinc/40/63/53/426406353.db2.gz CHEBEXHKRVUVHF-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2c1cnn2CC1CC1 ZINC000096197910 426406357 /nfs/dbraw/zinc/40/63/57/426406357.db2.gz CHEBEXHKRVUVHF-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO O=C(c1cnc2n1CC[N@@H+](CC1CCCCC1)C2)N1CCCC1 ZINC000096045652 426391447 /nfs/dbraw/zinc/39/14/47/426391447.db2.gz ULFRHJLBWURCLJ-UHFFFAOYSA-N 1 2 316.449 2.515 40 0 DFABLO O=C(c1cnc2n1CC[N@H+](CC1CCCCC1)C2)N1CCCC1 ZINC000096045652 426391448 /nfs/dbraw/zinc/39/14/48/426391448.db2.gz ULFRHJLBWURCLJ-UHFFFAOYSA-N 1 2 316.449 2.515 40 0 DFABLO O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216735 426408553 /nfs/dbraw/zinc/40/85/53/426408553.db2.gz LJNQOHZUZYXRLQ-SFHVURJKSA-N 1 2 310.401 2.542 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226332 426410078 /nfs/dbraw/zinc/41/00/78/426410078.db2.gz RTHMHKODVVOPBM-SFHVURJKSA-N 1 2 313.401 2.546 40 0 DFABLO c1coc(C[N@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC000096226332 426410080 /nfs/dbraw/zinc/41/00/80/426410080.db2.gz RTHMHKODVVOPBM-SFHVURJKSA-N 1 2 313.401 2.546 40 0 DFABLO c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3C[C@H]4CC[C@@H]3O4)c12 ZINC000096468219 426432085 /nfs/dbraw/zinc/43/20/85/426432085.db2.gz OUFVUHRKTXUPRH-SNPRPXQTSA-N 1 2 307.357 2.547 40 0 DFABLO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](NC(C)=O)C1 ZINC000195576699 426540529 /nfs/dbraw/zinc/54/05/29/426540529.db2.gz BVKAWXWOGQZETA-AWEZNQCLSA-N 1 2 313.401 2.657 40 0 DFABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000329027307 427027270 /nfs/dbraw/zinc/02/72/70/427027270.db2.gz PRRHLXUOKMQYBH-GFCCVEGCSA-N 1 2 310.401 2.667 40 0 DFABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000329027307 427027276 /nfs/dbraw/zinc/02/72/76/427027276.db2.gz PRRHLXUOKMQYBH-GFCCVEGCSA-N 1 2 310.401 2.667 40 0 DFABLO OCCCNc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000329051397 427035212 /nfs/dbraw/zinc/03/52/12/427035212.db2.gz UWEIIHKMMYETDL-UHFFFAOYSA-N 1 2 320.396 2.525 40 0 DFABLO COc1ncccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248742892 427037882 /nfs/dbraw/zinc/03/78/82/427037882.db2.gz RNPHVNOFGLCSDY-BBRMVZONSA-N 1 2 320.339 2.676 40 0 DFABLO COc1ncccc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248742892 427037887 /nfs/dbraw/zinc/03/78/87/427037887.db2.gz RNPHVNOFGLCSDY-BBRMVZONSA-N 1 2 320.339 2.676 40 0 DFABLO CC(C)n1nccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256049800 427304418 /nfs/dbraw/zinc/30/44/18/427304418.db2.gz BLYOJFOSUWTPPB-UHFFFAOYSA-N 1 2 301.316 2.506 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C2)[nH+]1 ZINC000257207138 427308722 /nfs/dbraw/zinc/30/87/22/427308722.db2.gz BGMGDPJERNOFMO-CQSZACIVSA-N 1 2 306.369 2.896 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n1 ZINC000257222689 427316070 /nfs/dbraw/zinc/31/60/70/427316070.db2.gz DUJBIUUATXZAMS-OAHLLOKOSA-N 1 2 311.385 2.847 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)n1 ZINC000257222689 427316080 /nfs/dbraw/zinc/31/60/80/427316080.db2.gz DUJBIUUATXZAMS-OAHLLOKOSA-N 1 2 311.385 2.847 40 0 DFABLO CCCOC1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000257232945 427317458 /nfs/dbraw/zinc/31/74/58/427317458.db2.gz GNBKRKNMGVOAGD-UHFFFAOYSA-N 1 2 315.417 2.603 40 0 DFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc[nH+]1 ZINC000257242449 427322329 /nfs/dbraw/zinc/32/23/29/427322329.db2.gz ICNRNUFRRSUEPF-LJQANCHMSA-N 1 2 324.428 2.708 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(C3CC3)on2)cc[nH+]1 ZINC000257254163 427326018 /nfs/dbraw/zinc/32/60/18/427326018.db2.gz KBYSKFYYXSTAPH-CQSZACIVSA-N 1 2 312.373 2.966 40 0 DFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)no1 ZINC000257265742 427328565 /nfs/dbraw/zinc/32/85/65/427328565.db2.gz MABQPVWVJHWGPO-MRXNPFEDSA-N 1 2 322.368 2.831 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257267281 427328829 /nfs/dbraw/zinc/32/88/29/427328829.db2.gz MGPYROVEYNNSTP-CYBMUJFWSA-N 1 2 315.442 2.908 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257267282 427329659 /nfs/dbraw/zinc/32/96/59/427329659.db2.gz MGPYROVEYNNSTP-ZDUSSCGKSA-N 1 2 315.442 2.908 40 0 DFABLO CC(C)n1nccc1C(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257270000 427333837 /nfs/dbraw/zinc/33/38/37/427333837.db2.gz MSJDIMLTRZFSPC-KRWDZBQOSA-N 1 2 312.417 2.593 40 0 DFABLO CC(C)n1nccc1C(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257270000 427333843 /nfs/dbraw/zinc/33/38/43/427333843.db2.gz MSJDIMLTRZFSPC-KRWDZBQOSA-N 1 2 312.417 2.593 40 0 DFABLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCc2occc21 ZINC000263794511 427571994 /nfs/dbraw/zinc/57/19/94/427571994.db2.gz OINQFJIUVZUFGA-AWEZNQCLSA-N 1 2 314.389 2.689 40 0 DFABLO COC[C@@H]1Cn2c[nH+]cc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000096219696 277255549 /nfs/dbraw/zinc/25/55/49/277255549.db2.gz QGKRBSDGAGIKAW-ZDUSSCGKSA-N 1 2 323.799 2.954 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)[nH+]1 ZINC000257309880 302317779 /nfs/dbraw/zinc/31/77/79/302317779.db2.gz UCTVOYOFSUQJAF-HNNXBMFYSA-N 1 2 323.400 2.662 40 0 DFABLO CC(C)Oc1ccc(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000192263185 323240854 /nfs/dbraw/zinc/24/08/54/323240854.db2.gz JWPHHISNZSAASG-AWEZNQCLSA-N 1 2 313.401 2.896 40 0 DFABLO [NH3+][C@@H](Cc1ccccc1)c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534866 185379543 /nfs/dbraw/zinc/37/95/43/185379543.db2.gz GGULNWXWAQSJDB-HNNXBMFYSA-N 1 2 312.348 2.765 40 0 DFABLO Cc1ncc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000079027730 185147357 /nfs/dbraw/zinc/14/73/57/185147357.db2.gz WCZOPMCKXLGWOR-OAHLLOKOSA-N 1 2 319.405 2.828 40 0 DFABLO Cc1ncc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000079027730 185147358 /nfs/dbraw/zinc/14/73/58/185147358.db2.gz WCZOPMCKXLGWOR-OAHLLOKOSA-N 1 2 319.405 2.828 40 0 DFABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585112038 398433433 /nfs/dbraw/zinc/43/34/33/398433433.db2.gz KKBWJCQGCLMYFD-BETUJISGSA-N 1 2 305.422 2.559 40 0 DFABLO CC(C)[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585112038 398433435 /nfs/dbraw/zinc/43/34/35/398433435.db2.gz KKBWJCQGCLMYFD-BETUJISGSA-N 1 2 305.422 2.559 40 0 DFABLO O=C(N[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000043689581 398627872 /nfs/dbraw/zinc/62/78/72/398627872.db2.gz LYRYEJGHNASYQN-INIZCTEOSA-N 1 2 304.353 2.685 40 0 DFABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072366792 191136393 /nfs/dbraw/zinc/13/63/93/191136393.db2.gz KJKLCIBXWOACBW-AWEZNQCLSA-N 1 2 318.808 2.760 40 0 DFABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072366792 191136395 /nfs/dbraw/zinc/13/63/95/191136395.db2.gz KJKLCIBXWOACBW-AWEZNQCLSA-N 1 2 318.808 2.760 40 0 DFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072379205 191141808 /nfs/dbraw/zinc/14/18/08/191141808.db2.gz HAQCELCRBJPECX-HNNXBMFYSA-N 1 2 320.400 2.961 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCC2CCCCC2)[nH+]1 ZINC000257299285 203022875 /nfs/dbraw/zinc/02/28/75/203022875.db2.gz RPKOGWZVKMMOHT-HNNXBMFYSA-N 1 2 305.422 2.979 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257311110 203035599 /nfs/dbraw/zinc/03/55/99/203035599.db2.gz UHZLJJRHXATRJA-CYBMUJFWSA-N 1 2 316.405 2.924 40 0 DFABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cncs3)C2)cc[nH+]1 ZINC000257305807 203030249 /nfs/dbraw/zinc/03/02/49/203030249.db2.gz SRQIGRARNHIEOB-ZDUSSCGKSA-N 1 2 316.430 2.624 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257308024 203032200 /nfs/dbraw/zinc/03/22/00/203032200.db2.gz TVCVCHKGMZTNGO-CQSZACIVSA-N 1 2 323.400 2.580 40 0 DFABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)n1 ZINC000257307211 203032517 /nfs/dbraw/zinc/03/25/17/203032517.db2.gz SXRCNXLWLICUPY-AWEZNQCLSA-N 1 2 311.385 2.847 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)n1 ZINC000257307211 203032522 /nfs/dbraw/zinc/03/25/22/203032522.db2.gz SXRCNXLWLICUPY-AWEZNQCLSA-N 1 2 311.385 2.847 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2Cc2c[nH]nc2-c2ccccc2)[nH+]1 ZINC000257332164 203054582 /nfs/dbraw/zinc/05/45/82/203054582.db2.gz XWAADZRDERMELL-MRXNPFEDSA-N 1 2 323.400 2.682 40 0 DFABLO CNc1cc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc[nH+]1 ZINC000257331229 203055407 /nfs/dbraw/zinc/05/54/07/203055407.db2.gz XRXMAAUGAAKKIW-CQSZACIVSA-N 1 2 314.389 2.748 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257311111 203036977 /nfs/dbraw/zinc/03/69/77/203036977.db2.gz UHZLJJRHXATRJA-ZDUSSCGKSA-N 1 2 316.405 2.924 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3ccccc3F)C2)[nH+]1 ZINC000257326154 203049393 /nfs/dbraw/zinc/04/93/93/203049393.db2.gz WWAZFCMTUNMEQP-CQSZACIVSA-N 1 2 301.365 2.806 40 0 DFABLO O=C(c1cccnc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257340064 203062272 /nfs/dbraw/zinc/06/22/72/203062272.db2.gz ZEHMIJNALZABKJ-UHFFFAOYSA-N 1 2 306.369 2.749 40 0 DFABLO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2OCc2ccccc2)no1 ZINC000195570321 399188188 /nfs/dbraw/zinc/18/81/88/399188188.db2.gz RWBYFJMBXHWAMN-JKSUJKDBSA-N 1 2 301.390 2.996 40 0 DFABLO c1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccncc4)CCO3)n2)cc1 ZINC000019374376 182120515 /nfs/dbraw/zinc/12/05/15/182120515.db2.gz CODGSTHCAIVNQM-INIZCTEOSA-N 1 2 322.368 2.705 40 0 DFABLO c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccncc4)CCO3)n2)cc1 ZINC000019374376 182120517 /nfs/dbraw/zinc/12/05/17/182120517.db2.gz CODGSTHCAIVNQM-INIZCTEOSA-N 1 2 322.368 2.705 40 0 DFABLO C[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Cc1ccccc1F ZINC000019575592 182131047 /nfs/dbraw/zinc/13/10/47/182131047.db2.gz UQTDABXSYJUJNP-AWEZNQCLSA-N 1 2 316.376 2.694 40 0 DFABLO C[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Cc1ccccc1F ZINC000019575592 182131050 /nfs/dbraw/zinc/13/10/50/182131050.db2.gz UQTDABXSYJUJNP-AWEZNQCLSA-N 1 2 316.376 2.694 40 0 DFABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cnn4cccnc34)ccc21 ZINC000019657741 182135473 /nfs/dbraw/zinc/13/54/73/182135473.db2.gz YJEOFJOOAQSZEG-UHFFFAOYSA-N 1 2 320.356 2.660 40 0 DFABLO COc1cc(C)ccc1OCCn1c[nH+]cc1-c1cnn(C)c1 ZINC000019719517 182138286 /nfs/dbraw/zinc/13/82/86/182138286.db2.gz HIQXWLKEFJVHAU-UHFFFAOYSA-N 1 2 312.373 2.680 40 0 DFABLO CCn1cc(-c2c[nH+]cn2CCn2nc(C)c(Cl)c2C)cn1 ZINC000019719626 182138589 /nfs/dbraw/zinc/13/85/89/182138589.db2.gz COPSBRQOROVUFD-UHFFFAOYSA-N 1 2 318.812 2.933 40 0 DFABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000019932988 182166921 /nfs/dbraw/zinc/16/69/21/182166921.db2.gz MXZSCJOFNITPNL-MRXNPFEDSA-N 1 2 315.417 2.782 40 0 DFABLO O=Cc1ccccc1OCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020131608 182190490 /nfs/dbraw/zinc/19/04/90/182190490.db2.gz DDZBYUUGEXTCMU-UHFFFAOYSA-N 1 2 324.424 2.696 40 0 DFABLO CC[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](C)CC1 ZINC000020492649 182224527 /nfs/dbraw/zinc/22/45/27/182224527.db2.gz SNIWXDBHTAVCTH-KRWDZBQOSA-N 1 2 312.413 2.771 40 0 DFABLO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCn1cc[nH+]c1 ZINC000022519580 182324502 /nfs/dbraw/zinc/32/45/02/182324502.db2.gz QBTKGEONQKNMMA-INIZCTEOSA-N 1 2 315.417 2.864 40 0 DFABLO C[NH+]1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000059843200 184141485 /nfs/dbraw/zinc/14/14/85/184141485.db2.gz PKUZQZIJAITZRE-UHFFFAOYSA-N 1 2 321.380 2.882 40 0 DFABLO Cc1nc2[nH]ccc2c(N2CCC(Nc3cccnc3)CC2)[nH+]1 ZINC000080983850 542493347 /nfs/dbraw/zinc/49/33/47/542493347.db2.gz HXPVRXQFQSCNKG-UHFFFAOYSA-N 1 2 308.389 2.742 40 0 DFABLO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1noc(C)n1 ZINC000083473699 542502221 /nfs/dbraw/zinc/50/22/21/542502221.db2.gz OLFYGAYVSOPWJE-CYBMUJFWSA-N 1 2 305.378 2.945 40 0 DFABLO COc1ccc(F)cc1C[S@](=O)Cc1cn2ccccc2[nH+]1 ZINC000083944761 542504698 /nfs/dbraw/zinc/50/46/98/542504698.db2.gz XCZIGRXJAQMHEF-JOCHJYFZSA-N 1 2 318.373 2.931 40 0 DFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000084290458 542508191 /nfs/dbraw/zinc/50/81/91/542508191.db2.gz NOWRKTGEMZRVRU-UONOGXRCSA-N 1 2 309.369 2.858 40 0 DFABLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)n1 ZINC000084800614 542515186 /nfs/dbraw/zinc/51/51/86/542515186.db2.gz MXFBDYJPLDIDJV-STQMWFEESA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)n1 ZINC000084800614 542515189 /nfs/dbraw/zinc/51/51/89/542515189.db2.gz MXFBDYJPLDIDJV-STQMWFEESA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084800614 542515194 /nfs/dbraw/zinc/51/51/94/542515194.db2.gz MXFBDYJPLDIDJV-STQMWFEESA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084800614 542515198 /nfs/dbraw/zinc/51/51/98/542515198.db2.gz MXFBDYJPLDIDJV-STQMWFEESA-N 1 2 319.409 2.578 40 0 DFABLO CNc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072219084 257124427 /nfs/dbraw/zinc/12/44/27/257124427.db2.gz HDQKADNYTYNAGT-UHFFFAOYSA-N 1 2 307.394 2.919 40 0 DFABLO COc1cccc(-c2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)c1 ZINC000095533525 257137736 /nfs/dbraw/zinc/13/77/36/257137736.db2.gz RZOODFLEFLHYFK-HNNXBMFYSA-N 1 2 310.357 2.537 40 0 DFABLO C[NH+](C)CCS(=O)(=O)C(c1ccccc1)c1ccccc1 ZINC000001665082 425584759 /nfs/dbraw/zinc/58/47/59/425584759.db2.gz BMRYKWZRJAHOLH-UHFFFAOYSA-N 1 2 303.427 2.752 40 0 DFABLO O=C(C[NH+]1CCC(c2ccccc2F)CC1)NCc1ccco1 ZINC000012113939 425717428 /nfs/dbraw/zinc/71/74/28/425717428.db2.gz WVHLCZQOKOFQJX-UHFFFAOYSA-N 1 2 316.376 2.915 40 0 DFABLO Cc1ccc(OCCCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000014398744 425772848 /nfs/dbraw/zinc/77/28/48/425772848.db2.gz KLHDEVWYKZQNRC-UHFFFAOYSA-N 1 2 301.390 2.557 40 0 DFABLO CC(C)Oc1ccccc1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000084622056 426242096 /nfs/dbraw/zinc/24/20/96/426242096.db2.gz XHYUHPPLMGAHNY-UHFFFAOYSA-N 1 2 312.417 2.959 40 0 DFABLO CC(C)Oc1ccccc1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000084622056 426242097 /nfs/dbraw/zinc/24/20/97/426242097.db2.gz XHYUHPPLMGAHNY-UHFFFAOYSA-N 1 2 312.417 2.959 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060382 426395315 /nfs/dbraw/zinc/39/53/15/426395315.db2.gz JTTYZXSNCGUMKI-ZDUSSCGKSA-N 1 2 305.447 2.926 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060382 426395317 /nfs/dbraw/zinc/39/53/17/426395317.db2.gz JTTYZXSNCGUMKI-ZDUSSCGKSA-N 1 2 305.447 2.926 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccoc1)CC2 ZINC000096197763 426406567 /nfs/dbraw/zinc/40/65/67/426406567.db2.gz JHQXTMASELBYFP-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)co1 ZINC000096042197 426391130 /nfs/dbraw/zinc/39/11/30/426391130.db2.gz MGCPAHUJWWSBOD-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)co1 ZINC000096042197 426391134 /nfs/dbraw/zinc/39/11/34/426391134.db2.gz MGCPAHUJWWSBOD-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccoc1)CC2 ZINC000096197763 426406571 /nfs/dbraw/zinc/40/65/71/426406571.db2.gz JHQXTMASELBYFP-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)N1c1ccsc1 ZINC000096055728 426392980 /nfs/dbraw/zinc/39/29/80/426392980.db2.gz HPYVBVIQTMMUNU-NWDGAFQWSA-N 1 2 305.428 2.584 40 0 DFABLO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)N1c1ccsc1 ZINC000096055728 426392983 /nfs/dbraw/zinc/39/29/83/426392983.db2.gz HPYVBVIQTMMUNU-NWDGAFQWSA-N 1 2 305.428 2.584 40 0 DFABLO c1cc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)co1 ZINC000096250556 426411246 /nfs/dbraw/zinc/41/12/46/426411246.db2.gz BTOLSDAYMMHSTF-BRWVUGGUSA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)co1 ZINC000096250556 426411249 /nfs/dbraw/zinc/41/12/49/426411249.db2.gz BTOLSDAYMMHSTF-BRWVUGGUSA-N 1 2 314.385 2.733 40 0 DFABLO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@@H]1COCC[NH2+]1 ZINC000195543334 426539543 /nfs/dbraw/zinc/53/95/43/426539543.db2.gz SSUHCJBEDXNFJY-AWEZNQCLSA-N 1 2 324.808 2.588 40 0 DFABLO CC(C)Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328981571 427022700 /nfs/dbraw/zinc/02/27/00/427022700.db2.gz GUJNKSYDYPGTDS-MRXNPFEDSA-N 1 2 314.433 3.393 40 0 DFABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000329020297 427028178 /nfs/dbraw/zinc/02/81/78/427028178.db2.gz OAGPVFVLZASPQR-LLVKDONJSA-N 1 2 316.380 3.338 40 0 DFABLO Fc1cc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(F)c1 ZINC000329029647 427028295 /nfs/dbraw/zinc/02/82/95/427028295.db2.gz PZVNFRQJJHZBHP-UHFFFAOYSA-N 1 2 320.318 2.933 40 0 DFABLO CCCn1cc(Cl)c(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257210826 427310264 /nfs/dbraw/zinc/31/02/64/427310264.db2.gz BWIMJUFPDANIKN-NSHDSACASA-N 1 2 321.812 2.608 40 0 DFABLO Cc1nc(C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cs1 ZINC000257203819 427310377 /nfs/dbraw/zinc/31/03/77/427310377.db2.gz ARTTYRYTLINHPI-IRXDYDNUSA-N 1 2 318.442 2.856 40 0 DFABLO Cc1nc(C[N@H+]2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cs1 ZINC000257203819 427310384 /nfs/dbraw/zinc/31/03/84/427310384.db2.gz ARTTYRYTLINHPI-IRXDYDNUSA-N 1 2 318.442 2.856 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257221927 427313537 /nfs/dbraw/zinc/31/35/37/427313537.db2.gz DREHICNKRYDUJX-LBPRGKRZSA-N 1 2 304.419 2.779 40 0 DFABLO Cc1ncoc1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257213027 427313743 /nfs/dbraw/zinc/31/37/43/427313743.db2.gz CFXBDIQDWOYMIL-CQSZACIVSA-N 1 2 308.341 2.577 40 0 DFABLO Cc1nc(N2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cnccn2)cc[nH+]1 ZINC000257217871 427314610 /nfs/dbraw/zinc/31/46/10/427314610.db2.gz DAYLPDQARYALQO-BFYDXBDKSA-N 1 2 309.417 2.670 40 0 DFABLO COc1ccccc1[C@H]1CN(Cc2csc(C)n2)CC[N@@H+]1C ZINC000257225052 427315669 /nfs/dbraw/zinc/31/56/69/427315669.db2.gz FEPCWHWCBIBDJS-MRXNPFEDSA-N 1 2 317.458 2.949 40 0 DFABLO COc1ccccc1[C@H]1CN(Cc2csc(C)n2)CC[N@H+]1C ZINC000257225052 427315678 /nfs/dbraw/zinc/31/56/78/427315678.db2.gz FEPCWHWCBIBDJS-MRXNPFEDSA-N 1 2 317.458 2.949 40 0 DFABLO COc1ccc([C@@H]2CN(Cc3nccs3)CC[N@@H+]2C)cc1 ZINC000257230695 427316902 /nfs/dbraw/zinc/31/69/02/427316902.db2.gz GDLXZCBRMPEOBP-HNNXBMFYSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccc([C@@H]2CN(Cc3nccs3)CC[N@H+]2C)cc1 ZINC000257230695 427316909 /nfs/dbraw/zinc/31/69/09/427316909.db2.gz GDLXZCBRMPEOBP-HNNXBMFYSA-N 1 2 303.431 2.640 40 0 DFABLO O[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257223773 427317558 /nfs/dbraw/zinc/31/75/58/427317558.db2.gz DYUJZRORPIGRMM-HOTGVXAUSA-N 1 2 322.405 2.687 40 0 DFABLO O[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257223773 427317564 /nfs/dbraw/zinc/31/75/64/427317564.db2.gz DYUJZRORPIGRMM-HOTGVXAUSA-N 1 2 322.405 2.687 40 0 DFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257232283 427318276 /nfs/dbraw/zinc/31/82/76/427318276.db2.gz GKEIZOYRGVCQSO-HNNXBMFYSA-N 1 2 323.400 2.662 40 0 DFABLO Cn1ccnc1-c1cnc(C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000257243015 427321749 /nfs/dbraw/zinc/32/17/49/427321749.db2.gz IFEIVPOPWKFFOA-UHFFFAOYSA-N 1 2 320.400 2.656 40 0 DFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2nccs2)nc1 ZINC000257273035 277038018 /nfs/dbraw/zinc/03/80/18/277038018.db2.gz NEYGROIAPGTFBT-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2nccs2)nc1 ZINC000257273035 277038019 /nfs/dbraw/zinc/03/80/19/277038019.db2.gz NEYGROIAPGTFBT-HNNXBMFYSA-N 1 2 316.430 2.511 40 0 DFABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1occc1C)[C@@H]2C ZINC000585097934 430478576 /nfs/dbraw/zinc/47/85/76/430478576.db2.gz PMZVZQZTVXCGDM-CYBMUJFWSA-N 1 2 317.389 2.581 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)[nH+]1 ZINC000257309881 302317706 /nfs/dbraw/zinc/31/77/06/302317706.db2.gz UCTVOYOFSUQJAF-OAHLLOKOSA-N 1 2 323.400 2.662 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257231212 302317937 /nfs/dbraw/zinc/31/79/37/302317937.db2.gz GFUMMDFDJOKDKU-HNNXBMFYSA-N 1 2 313.401 2.837 40 0 DFABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257231212 302317939 /nfs/dbraw/zinc/31/79/39/302317939.db2.gz GFUMMDFDJOKDKU-HNNXBMFYSA-N 1 2 313.401 2.837 40 0 DFABLO CCC[C@@H]([NH2+]Cc1cocn1)C(=O)N1CCc2sccc2C1 ZINC000192304716 323240828 /nfs/dbraw/zinc/24/08/28/323240828.db2.gz BXCGCTWRQAIBFN-CQSZACIVSA-N 1 2 319.430 2.579 40 0 DFABLO CCOC(=O)[C@@H](Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000192974145 323250542 /nfs/dbraw/zinc/25/05/42/323250542.db2.gz HZDUMAJXEDZOOK-ZDUSSCGKSA-N 1 2 303.387 2.764 40 0 DFABLO c1ccc2c(c1)[nH]c1c2CCN2[C@@H]([C@H]3CCOC3)[NH+]3CCC12CC3 ZINC000257212417 331948587 /nfs/dbraw/zinc/94/85/87/331948587.db2.gz CDHVULDMLOAIPM-LIRRHRJNSA-N 1 2 323.440 2.693 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000078911117 185127702 /nfs/dbraw/zinc/12/77/02/185127702.db2.gz RMCUWEUAZRVWIF-QWHCGFSZSA-N 1 2 323.318 2.859 40 0 DFABLO CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1[nH+]ccn1C ZINC000079027988 185147351 /nfs/dbraw/zinc/14/73/51/185147351.db2.gz NFHQNMXRQCUQOT-UHFFFAOYSA-N 1 2 320.824 2.924 40 0 DFABLO CC(C)c1cnc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000079097344 185157908 /nfs/dbraw/zinc/15/79/08/185157908.db2.gz FZDWMCYUQSRZJA-LBPRGKRZSA-N 1 2 309.410 2.897 40 0 DFABLO CC(C)c1cnc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)o1 ZINC000079097344 185157910 /nfs/dbraw/zinc/15/79/10/185157910.db2.gz FZDWMCYUQSRZJA-LBPRGKRZSA-N 1 2 309.410 2.897 40 0 DFABLO CCOc1nnc(C[N@H+](C)[C@H]2CCc3ccccc3C2)s1 ZINC000079311738 185164495 /nfs/dbraw/zinc/16/44/95/185164495.db2.gz XUKUYQIGHFVXII-AWEZNQCLSA-N 1 2 303.431 2.926 40 0 DFABLO CCOc1nnc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)s1 ZINC000079311738 185164496 /nfs/dbraw/zinc/16/44/96/185164496.db2.gz XUKUYQIGHFVXII-AWEZNQCLSA-N 1 2 303.431 2.926 40 0 DFABLO CO[C@]1(COc2ccccc2C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585275142 398438749 /nfs/dbraw/zinc/43/87/49/398438749.db2.gz YFCIEUFBBXMBKV-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@]1(COc2ccccc2C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585275142 398438750 /nfs/dbraw/zinc/43/87/50/398438750.db2.gz YFCIEUFBBXMBKV-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO Cc1ccn2cc(CNc3ncncc3Br)[nH+]c2c1 ZINC000084250803 192416484 /nfs/dbraw/zinc/41/64/84/192416484.db2.gz WIYYCRYKQPSMIN-UHFFFAOYSA-N 1 2 318.178 2.807 40 0 DFABLO O=C(c1ccccc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378401 191141485 /nfs/dbraw/zinc/14/14/85/191141485.db2.gz LXDCAEWXRYMRPJ-INIZCTEOSA-N 1 2 319.368 2.640 40 0 DFABLO COc1cc2ccccc2cc1C(=O)NCCCn1cc[nH+]c1 ZINC000005265212 181223416 /nfs/dbraw/zinc/22/34/16/181223416.db2.gz SGJSWMRAGCLKAT-UHFFFAOYSA-N 1 2 309.369 2.865 40 0 DFABLO C[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)n1cc[nH+]c1 ZINC000081740331 192319360 /nfs/dbraw/zinc/31/93/60/192319360.db2.gz XZGDKSFVUBGURK-LBPRGKRZSA-N 1 2 309.329 2.665 40 0 DFABLO CCOC(=O)c1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000006956384 181428477 /nfs/dbraw/zinc/42/84/77/181428477.db2.gz MLIBWYHBFHILJQ-UHFFFAOYSA-N 1 2 324.380 2.818 40 0 DFABLO Cc1cccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257270297 203000397 /nfs/dbraw/zinc/00/03/97/203000397.db2.gz MTPPVDJNTHXPBK-OAHLLOKOSA-N 1 2 310.401 2.526 40 0 DFABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257296184 203021188 /nfs/dbraw/zinc/02/11/88/203021188.db2.gz RBPOSEXKSDXEMF-OAHLLOKOSA-N 1 2 322.368 2.885 40 0 DFABLO c1c[nH]c(-c2nccnc2CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257302550 203027355 /nfs/dbraw/zinc/02/73/55/203027355.db2.gz SDIOOFTYDJNAOO-UHFFFAOYSA-N 1 2 320.400 2.721 40 0 DFABLO CNc1cc([C@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)cc[nH+]1 ZINC000257318734 203042386 /nfs/dbraw/zinc/04/23/86/203042386.db2.gz VPDWZOBKGUDGEZ-BDUNBXCCSA-N 1 2 322.412 2.938 40 0 DFABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccccn3)C2)cs1 ZINC000257323555 203047706 /nfs/dbraw/zinc/04/77/06/203047706.db2.gz WKVQUZUNJIJMFF-CQSZACIVSA-N 1 2 303.431 2.538 40 0 DFABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccccn3)C2)cs1 ZINC000257323555 203047710 /nfs/dbraw/zinc/04/77/10/203047710.db2.gz WKVQUZUNJIJMFF-CQSZACIVSA-N 1 2 303.431 2.538 40 0 DFABLO Cc1[nH+]c2ccccn2c1CC(=O)N[C@@H]1CCc2ccccc21 ZINC000257337241 203060731 /nfs/dbraw/zinc/06/07/31/203060731.db2.gz YRZPKFNFJZRDSD-MRXNPFEDSA-N 1 2 305.381 2.989 40 0 DFABLO CNC(=O)c1cc(C)nc([C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000257343601 203064663 /nfs/dbraw/zinc/06/46/63/203064663.db2.gz ZTQYSDTXOGEKSU-IBGZPJMESA-N 1 2 324.428 2.656 40 0 DFABLO CNC(=O)c1cc(C)nc([C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000257343601 203064666 /nfs/dbraw/zinc/06/46/66/203064666.db2.gz ZTQYSDTXOGEKSU-IBGZPJMESA-N 1 2 324.428 2.656 40 0 DFABLO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)nc1 ZINC000019401437 182121457 /nfs/dbraw/zinc/12/14/57/182121457.db2.gz SNVFFAXHZCRTFL-MAUKXSAKSA-N 1 2 321.428 2.734 40 0 DFABLO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)nc1 ZINC000019401437 182121459 /nfs/dbraw/zinc/12/14/59/182121459.db2.gz SNVFFAXHZCRTFL-MAUKXSAKSA-N 1 2 321.428 2.734 40 0 DFABLO CCc1[nH+]c2cc(NC(=O)Cn3cc(C)cn3)ccc2n1CC ZINC000019523213 182128044 /nfs/dbraw/zinc/12/80/44/182128044.db2.gz WRQWCAPURYPFIV-UHFFFAOYSA-N 1 2 311.389 2.762 40 0 DFABLO COc1cccc(CN2CC[N@H+](Cc3cccnc3)[C@@H](C)C2)c1 ZINC000019575656 182130875 /nfs/dbraw/zinc/13/08/75/182130875.db2.gz JPWZAJLXUDGHNA-INIZCTEOSA-N 1 2 311.429 2.797 40 0 DFABLO COc1cccc(CN2CC[N@@H+](Cc3cccnc3)[C@@H](C)C2)c1 ZINC000019575656 182130876 /nfs/dbraw/zinc/13/08/76/182130876.db2.gz JPWZAJLXUDGHNA-INIZCTEOSA-N 1 2 311.429 2.797 40 0 DFABLO COc1cccc(OCCCn2c[nH+]cc2-c2cnn(C)c2)c1 ZINC000019719492 182138722 /nfs/dbraw/zinc/13/87/22/182138722.db2.gz KWGZRVGFSVBZGB-UHFFFAOYSA-N 1 2 312.373 2.761 40 0 DFABLO c1c[nH]c(-c2nccnc2[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257284754 256621614 /nfs/dbraw/zinc/62/16/14/256621614.db2.gz PEDFMRGOHRZCRD-CYBMUJFWSA-N 1 2 306.373 2.646 40 0 DFABLO CC[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225568 257123075 /nfs/dbraw/zinc/12/30/75/257123075.db2.gz RGMJYMUBDRCNLH-CQSZACIVSA-N 1 2 321.421 2.582 40 0 DFABLO OC[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000070453346 257128311 /nfs/dbraw/zinc/12/83/11/257128311.db2.gz GBDCNFJDVVOMOJ-IBGZPJMESA-N 1 2 313.397 2.631 40 0 DFABLO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000197790429 542866062 /nfs/dbraw/zinc/86/60/62/542866062.db2.gz RNXYGWFITTWILC-GFCCVEGCSA-N 1 2 303.793 2.527 40 0 DFABLO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000197790429 542866066 /nfs/dbraw/zinc/86/60/66/542866066.db2.gz RNXYGWFITTWILC-GFCCVEGCSA-N 1 2 303.793 2.527 40 0 DFABLO CC(C)(C)n1nnnc1[C@@H](c1ccncc1)[NH+]1CCCCCC1 ZINC000057710734 425896732 /nfs/dbraw/zinc/89/67/32/425896732.db2.gz QTKSZRFHSFUIHK-OAHLLOKOSA-N 1 2 314.437 2.789 40 0 DFABLO CCNc1nc(N2CCc3ccccc3C2)nc(NC(C)C)[nH+]1 ZINC000001584504 425582598 /nfs/dbraw/zinc/58/25/98/425582598.db2.gz SLZBQVIVQCZQHK-UHFFFAOYSA-N 1 2 312.421 2.686 40 0 DFABLO CCNc1nc(NC(C)C)nc(N2CCc3ccccc3C2)[nH+]1 ZINC000001584504 425582606 /nfs/dbraw/zinc/58/26/06/425582606.db2.gz SLZBQVIVQCZQHK-UHFFFAOYSA-N 1 2 312.421 2.686 40 0 DFABLO CCNc1nc(NC(C)C)[nH+]c(N2CCc3ccccc3C2)n1 ZINC000001584504 425582608 /nfs/dbraw/zinc/58/26/08/425582608.db2.gz SLZBQVIVQCZQHK-UHFFFAOYSA-N 1 2 312.421 2.686 40 0 DFABLO CCCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000012186483 425721526 /nfs/dbraw/zinc/72/15/26/425721526.db2.gz GPOBXNASSJHQET-MAUKXSAKSA-N 1 2 311.433 2.962 40 0 DFABLO CCCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000012186483 425721531 /nfs/dbraw/zinc/72/15/31/425721531.db2.gz GPOBXNASSJHQET-MAUKXSAKSA-N 1 2 311.433 2.962 40 0 DFABLO CCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1OCC ZINC000045162274 425860243 /nfs/dbraw/zinc/86/02/43/425860243.db2.gz UPNFAAYWLPRIJN-UHFFFAOYSA-N 1 2 317.389 2.501 40 0 DFABLO CC[NH+]1CCN(c2c(N)cc(Cl)cc2Br)CC1 ZINC000045886158 425863199 /nfs/dbraw/zinc/86/31/99/425863199.db2.gz LQOYZCUTWXAWHR-UHFFFAOYSA-N 1 2 318.646 2.827 40 0 DFABLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000079804826 426204332 /nfs/dbraw/zinc/20/43/32/426204332.db2.gz FKNKRLNSBBTYDI-UHFFFAOYSA-N 1 2 301.390 2.870 40 0 DFABLO O=C(Nc1cnc(-n2cc[nH+]c2)nc1)c1c(F)cccc1Cl ZINC000085555471 426252135 /nfs/dbraw/zinc/25/21/35/426252135.db2.gz RCRMYKPRCMSFNS-UHFFFAOYSA-N 1 2 317.711 2.707 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060451 426394082 /nfs/dbraw/zinc/39/40/82/426394082.db2.gz NNQSQTRDWGYRLM-OAHLLOKOSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060451 426394085 /nfs/dbraw/zinc/39/40/85/426394085.db2.gz NNQSQTRDWGYRLM-OAHLLOKOSA-N 1 2 315.417 2.940 40 0 DFABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)o1 ZINC000096060236 426394746 /nfs/dbraw/zinc/39/47/46/426394746.db2.gz PYTUJQIHZIFDLB-HNNXBMFYSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)o1 ZINC000096060236 426394749 /nfs/dbraw/zinc/39/47/49/426394749.db2.gz PYTUJQIHZIFDLB-HNNXBMFYSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3[C@H](COCC3CC3)C2)o1 ZINC000096060236 426394752 /nfs/dbraw/zinc/39/47/52/426394752.db2.gz PYTUJQIHZIFDLB-HNNXBMFYSA-N 1 2 315.417 2.848 40 0 DFABLO COC[C@@H]1CN(Cc2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060262 426395125 /nfs/dbraw/zinc/39/51/25/426395125.db2.gz MRWFEJFKONQEOI-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2ncn(CC3CC3)c21 ZINC000096060262 426395127 /nfs/dbraw/zinc/39/51/27/426395127.db2.gz MRWFEJFKONQEOI-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ncn(CC3CC3)c21 ZINC000096060262 426395129 /nfs/dbraw/zinc/39/51/29/426395129.db2.gz MRWFEJFKONQEOI-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO CC(C)OCc1nn(C)c2c1CC[N@H+](Cc1ccsc1)C2 ZINC000096084993 426396304 /nfs/dbraw/zinc/39/63/04/426396304.db2.gz XJJFAIOJGAVFMK-UHFFFAOYSA-N 1 2 305.447 2.965 40 0 DFABLO CC(C)OCc1nn(C)c2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000096084993 426396307 /nfs/dbraw/zinc/39/63/07/426396307.db2.gz XJJFAIOJGAVFMK-UHFFFAOYSA-N 1 2 305.447 2.965 40 0 DFABLO C(OC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1C1CCC1)C1CC1 ZINC000096045415 426390855 /nfs/dbraw/zinc/39/08/55/426390855.db2.gz FYHCPYXYYVHRRO-QGZVFWFLSA-N 1 2 316.449 2.566 40 0 DFABLO C(OC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1C1CCC1)C1CC1 ZINC000096045415 426390858 /nfs/dbraw/zinc/39/08/58/426390858.db2.gz FYHCPYXYYVHRRO-QGZVFWFLSA-N 1 2 316.449 2.566 40 0 DFABLO CCOc1cccc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225521333 426603918 /nfs/dbraw/zinc/60/39/18/426603918.db2.gz AMSNPKBFJPFJED-UHFFFAOYSA-N 1 2 304.419 2.659 40 0 DFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCC1CC1)CS2 ZINC000247832700 426962099 /nfs/dbraw/zinc/96/20/99/426962099.db2.gz HXPFMQVNGJKDBB-OAHLLOKOSA-N 1 2 320.458 2.577 40 0 DFABLO c1csc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)n1 ZINC000248027205 426973853 /nfs/dbraw/zinc/97/38/53/426973853.db2.gz KSVKXYXLWSOJBO-ZDUSSCGKSA-N 1 2 319.455 2.677 40 0 DFABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000329027308 427027641 /nfs/dbraw/zinc/02/76/41/427027641.db2.gz PRRHLXUOKMQYBH-LBPRGKRZSA-N 1 2 310.401 2.667 40 0 DFABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000329027308 427027646 /nfs/dbraw/zinc/02/76/46/427027646.db2.gz PRRHLXUOKMQYBH-LBPRGKRZSA-N 1 2 310.401 2.667 40 0 DFABLO CCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329032855 427031207 /nfs/dbraw/zinc/03/12/07/427031207.db2.gz QQINNAMPLRGMSH-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO CCNc1nc(Nc2ccc(C(=O)OC)cc2)cc(C2CC2)[nH+]1 ZINC000329071545 427036488 /nfs/dbraw/zinc/03/64/88/427036488.db2.gz ZQTUGVIWGOIZDL-UHFFFAOYSA-N 1 2 312.373 3.316 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257207754 427309108 /nfs/dbraw/zinc/30/91/08/427309108.db2.gz BJBRHEUCZAMYPM-AWEZNQCLSA-N 1 2 301.365 2.806 40 0 DFABLO CC(=O)N1CC[N@H+](CCC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000257208338 427311220 /nfs/dbraw/zinc/31/12/20/427311220.db2.gz BLTCOGXULIHFQH-CQSZACIVSA-N 1 2 300.324 2.844 40 0 DFABLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000257208338 427311226 /nfs/dbraw/zinc/31/12/26/427311226.db2.gz BLTCOGXULIHFQH-CQSZACIVSA-N 1 2 300.324 2.844 40 0 DFABLO CNc1ncccc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1c1ccccc1 ZINC000257202692 427311448 /nfs/dbraw/zinc/31/14/48/427311448.db2.gz AMWXSZUQZFJCJE-GOSISDBHSA-N 1 2 324.428 2.529 40 0 DFABLO CNc1ncccc1C[N@H+]1CCN(C(C)=O)C[C@@H]1c1ccccc1 ZINC000257202692 427311453 /nfs/dbraw/zinc/31/14/53/427311453.db2.gz AMWXSZUQZFJCJE-GOSISDBHSA-N 1 2 324.428 2.529 40 0 DFABLO CCc1nnsc1C(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257214778 427314693 /nfs/dbraw/zinc/31/46/93/427314693.db2.gz CNKGRIARUVKDAH-LBPRGKRZSA-N 1 2 317.418 2.515 40 0 DFABLO c1c[nH]c(-c2cncc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)n1 ZINC000257219213 427314854 /nfs/dbraw/zinc/31/48/54/427314854.db2.gz DGAJFCFHUXLAQD-CYBMUJFWSA-N 1 2 306.373 2.646 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257253056 427323877 /nfs/dbraw/zinc/32/38/77/427323877.db2.gz JXKOIDCRGWTZMU-GFCCVEGCSA-N 1 2 315.421 2.759 40 0 DFABLO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257269602 427328100 /nfs/dbraw/zinc/32/81/00/427328100.db2.gz MQQDDLCZUZBPEH-AWEZNQCLSA-N 1 2 321.388 2.615 40 0 DFABLO COCCC(=O)N1CCC[C@](C)(c2[nH+]c(C)n3ccsc23)C1 ZINC000257263510 427328992 /nfs/dbraw/zinc/32/89/92/427328992.db2.gz LQFPCSRCXXXKBF-INIZCTEOSA-N 1 2 321.446 2.621 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2csc(C)n2)C[C@@H]1c1ccccc1 ZINC000257285552 427333574 /nfs/dbraw/zinc/33/35/74/427333574.db2.gz PHRSNAAKVQEKBE-QGZVFWFLSA-N 1 2 315.442 2.857 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2csc(C)n2)C[C@@H]1c1ccccc1 ZINC000257285552 427333583 /nfs/dbraw/zinc/33/35/83/427333583.db2.gz PHRSNAAKVQEKBE-QGZVFWFLSA-N 1 2 315.442 2.857 40 0 DFABLO C[C@@]1(O)CC[N@H+](Cc2cscn2)C[C@H]1Oc1ccccc1 ZINC000257311948 289212317 /nfs/dbraw/zinc/21/23/17/289212317.db2.gz ULSQXMOAYKYGLW-HZPDHXFCSA-N 1 2 304.415 2.547 40 0 DFABLO C[C@@]1(O)CC[N@@H+](Cc2cscn2)C[C@H]1Oc1ccccc1 ZINC000257311948 289212320 /nfs/dbraw/zinc/21/23/20/289212320.db2.gz ULSQXMOAYKYGLW-HZPDHXFCSA-N 1 2 304.415 2.547 40 0 DFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1OC ZINC000095534897 185379214 /nfs/dbraw/zinc/37/92/14/185379214.db2.gz XHVWIQOGJHLXIH-AWEZNQCLSA-N 1 2 324.384 2.731 40 0 DFABLO CC[C@H](NC(=O)NCc1[nH+]ccn1C)C(C)(C)c1ccccc1 ZINC000078952645 185134344 /nfs/dbraw/zinc/13/43/44/185134344.db2.gz CTBLPFXSXIIESJ-HNNXBMFYSA-N 1 2 314.433 2.976 40 0 DFABLO Cc1ccc(-c2ocnc2C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000078986650 185140914 /nfs/dbraw/zinc/14/09/14/185140914.db2.gz VHSFZEOPOYFZGX-AWEZNQCLSA-N 1 2 324.384 2.913 40 0 DFABLO Cc1ncc(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000079027735 185147309 /nfs/dbraw/zinc/14/73/09/185147309.db2.gz WCZOPMCKXLGWOR-HNNXBMFYSA-N 1 2 319.405 2.828 40 0 DFABLO Cc1ncc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)s1 ZINC000079027735 185147310 /nfs/dbraw/zinc/14/73/10/185147310.db2.gz WCZOPMCKXLGWOR-HNNXBMFYSA-N 1 2 319.405 2.828 40 0 DFABLO Cc1nnc([C@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)o1 ZINC000079030944 185147545 /nfs/dbraw/zinc/14/75/45/185147545.db2.gz KWPMTIGQGJAUCK-ZDUSSCGKSA-N 1 2 324.494 2.780 40 0 DFABLO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2ccccc2S3(=O)=O)s1 ZINC000306131559 231087960 /nfs/dbraw/zinc/08/79/60/231087960.db2.gz KIPXNUSOCUTRTN-ZBFHGGJFSA-N 1 2 319.451 2.812 40 0 DFABLO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2ccccc2S3(=O)=O)s1 ZINC000306131559 231087964 /nfs/dbraw/zinc/08/79/64/231087964.db2.gz KIPXNUSOCUTRTN-ZBFHGGJFSA-N 1 2 319.451 2.812 40 0 DFABLO c1coc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ccccn2)c1 ZINC000585102613 398432062 /nfs/dbraw/zinc/43/20/62/398432062.db2.gz CBGVOZOFNBDZGL-OAHLLOKOSA-N 1 2 314.385 2.735 40 0 DFABLO CC(C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585111973 398433126 /nfs/dbraw/zinc/43/31/26/398433126.db2.gz JNSWFTCPAFCBDI-ZDUSSCGKSA-N 1 2 313.401 2.932 40 0 DFABLO CC(C)NC(=O)c1nc2c(o1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585111973 398433130 /nfs/dbraw/zinc/43/31/30/398433130.db2.gz JNSWFTCPAFCBDI-ZDUSSCGKSA-N 1 2 313.401 2.932 40 0 DFABLO Cc1noc(C)c1C[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083944095 192392332 /nfs/dbraw/zinc/39/23/32/192392332.db2.gz OQVWCYBDTTYKAQ-OAQYLSRUSA-N 1 2 303.387 2.696 40 0 DFABLO CC(=O)Nc1nc(C2CCN(c3cc(C)[nH+]cn3)CC2)cs1 ZINC000072369042 191137938 /nfs/dbraw/zinc/13/79/38/191137938.db2.gz XVVFCWZNMCPYGG-UHFFFAOYSA-N 1 2 317.418 2.584 40 0 DFABLO O=C(C1CCC1)N1CCC(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000072378944 191141810 /nfs/dbraw/zinc/14/18/10/191141810.db2.gz KZHDHSMXEZEKGJ-UHFFFAOYSA-N 1 2 310.401 2.773 40 0 DFABLO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000080114125 192003399 /nfs/dbraw/zinc/00/33/99/192003399.db2.gz YECNCYLAMUGHKT-BDJLRTHQSA-N 1 2 316.380 2.682 40 0 DFABLO CN1c2ccc(NCc3ccc(N4CCCC4)[nH+]c3)cc2CC1=O ZINC000193664918 201099707 /nfs/dbraw/zinc/09/97/07/201099707.db2.gz FEYIQMSXQDIPLB-UHFFFAOYSA-N 1 2 322.412 2.813 40 0 DFABLO C[C@H](C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621904 201263520 /nfs/dbraw/zinc/26/35/20/201263520.db2.gz KHQBSSHMQOSXRL-CRAIPNDOSA-N 1 2 309.413 2.970 40 0 DFABLO Cc1noc(C)c1C[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000078953905 399002555 /nfs/dbraw/zinc/00/25/55/399002555.db2.gz NESDFQSKNKGEMR-CYBMUJFWSA-N 1 2 313.401 2.701 40 0 DFABLO Cc1noc(C)c1C[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000078953905 399002562 /nfs/dbraw/zinc/00/25/62/399002562.db2.gz NESDFQSKNKGEMR-CYBMUJFWSA-N 1 2 313.401 2.701 40 0 DFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1ocnc1C)C2 ZINC000257222902 202957921 /nfs/dbraw/zinc/95/79/21/202957921.db2.gz DVCIJXVOWZJKMG-HNNXBMFYSA-N 1 2 322.368 2.885 40 0 DFABLO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cscn2)nc2[nH]ccn21 ZINC000257304313 203028969 /nfs/dbraw/zinc/02/89/69/203028969.db2.gz SKZNHTVVQJFKTF-ZDUSSCGKSA-N 1 2 315.402 2.619 40 0 DFABLO O=c1cc([C@@H]2CCCC[N@H+]2Cc2cscn2)nc2[nH]ccn21 ZINC000257304313 203028970 /nfs/dbraw/zinc/02/89/70/203028970.db2.gz SKZNHTVVQJFKTF-ZDUSSCGKSA-N 1 2 315.402 2.619 40 0 DFABLO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192015594 399173347 /nfs/dbraw/zinc/17/33/47/399173347.db2.gz IJECNTWANJGJDV-QGZVFWFLSA-N 1 2 301.365 2.561 40 0 DFABLO CCCCN1CNC(Nc2nc(C)c3cc(C)ccc3n2)=[NH+]C1 ZINC000019332600 182116292 /nfs/dbraw/zinc/11/62/92/182116292.db2.gz DJFLKYKOSRPQBO-UHFFFAOYSA-N 1 2 312.421 2.635 40 0 DFABLO Cc1nn(C)cc1-c1c[nH+]cn1[C@@H](C)Cc1c(C)nn(C)c1C ZINC000019719426 182137657 /nfs/dbraw/zinc/13/76/57/182137657.db2.gz FZEJFFRGYNRJBB-NSHDSACASA-N 1 2 312.421 2.746 40 0 DFABLO CCn1c2cccc(F)c2nc1C[N@H+](C)C1CCS(=O)CC1 ZINC000081100610 542493615 /nfs/dbraw/zinc/49/36/15/542493615.db2.gz BSNLTTDGFAKDAK-UHFFFAOYSA-N 1 2 323.437 2.538 40 0 DFABLO CCn1c2cccc(F)c2nc1C[N@@H+](C)C1CCS(=O)CC1 ZINC000081100610 542493620 /nfs/dbraw/zinc/49/36/20/542493620.db2.gz BSNLTTDGFAKDAK-UHFFFAOYSA-N 1 2 323.437 2.538 40 0 DFABLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)n1 ZINC000084800616 542514691 /nfs/dbraw/zinc/51/46/91/542514691.db2.gz MXFBDYJPLDIDJV-OLZOCXBDSA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)n1 ZINC000084800616 542514694 /nfs/dbraw/zinc/51/46/94/542514694.db2.gz MXFBDYJPLDIDJV-OLZOCXBDSA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084800616 542514701 /nfs/dbraw/zinc/51/47/01/542514701.db2.gz MXFBDYJPLDIDJV-OLZOCXBDSA-N 1 2 319.409 2.578 40 0 DFABLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084800616 542514704 /nfs/dbraw/zinc/51/47/04/542514704.db2.gz MXFBDYJPLDIDJV-OLZOCXBDSA-N 1 2 319.409 2.578 40 0 DFABLO COc1ccc(NCc2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534861 257136645 /nfs/dbraw/zinc/13/66/45/257136645.db2.gz QURKYBLMWHPRDF-INIZCTEOSA-N 1 2 323.400 2.668 40 0 DFABLO COc1ccc(NCc2nc([C@@H]([NH3+])Cc3ccccc3)n[nH]2)cc1 ZINC000095534861 257136647 /nfs/dbraw/zinc/13/66/47/257136647.db2.gz QURKYBLMWHPRDF-INIZCTEOSA-N 1 2 323.400 2.668 40 0 DFABLO CCOc1ccc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)cc1OC ZINC000095534305 257136801 /nfs/dbraw/zinc/13/68/01/257136801.db2.gz XRYMGAWJJDXTJI-CYBMUJFWSA-N 1 2 304.394 2.558 40 0 DFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095534305 257136802 /nfs/dbraw/zinc/13/68/02/257136802.db2.gz XRYMGAWJJDXTJI-CYBMUJFWSA-N 1 2 304.394 2.558 40 0 DFABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000095533884 257137891 /nfs/dbraw/zinc/13/78/91/257137891.db2.gz SLJRNQKVOIIBED-MRXNPFEDSA-N 1 2 324.384 2.845 40 0 DFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095533884 257137892 /nfs/dbraw/zinc/13/78/92/257137892.db2.gz SLJRNQKVOIIBED-MRXNPFEDSA-N 1 2 324.384 2.845 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000013566359 425757661 /nfs/dbraw/zinc/75/76/61/425757661.db2.gz NZIQQZSGBIVGEK-CQSZACIVSA-N 1 2 314.433 2.797 40 0 DFABLO COC(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000014152834 425766928 /nfs/dbraw/zinc/76/69/28/425766928.db2.gz KUWOMHSYLXTQLH-UHFFFAOYSA-N 1 2 310.781 2.551 40 0 DFABLO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C)CC1 ZINC000030755581 425833066 /nfs/dbraw/zinc/83/30/66/425833066.db2.gz CJIFALBGMHHRIW-GOSISDBHSA-N 1 2 312.413 2.771 40 0 DFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1CSc2ccccc21 ZINC000079025308 426189007 /nfs/dbraw/zinc/18/90/07/426189007.db2.gz LDDRNDWSHLEXNN-ZDUSSCGKSA-N 1 2 313.426 3.000 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060273 426394504 /nfs/dbraw/zinc/39/45/04/426394504.db2.gz LBLRKDNVYDPLBH-OAHLLOKOSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060273 426394506 /nfs/dbraw/zinc/39/45/06/426394506.db2.gz LBLRKDNVYDPLBH-OAHLLOKOSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060273 426394509 /nfs/dbraw/zinc/39/45/09/426394509.db2.gz LBLRKDNVYDPLBH-OAHLLOKOSA-N 1 2 315.417 2.940 40 0 DFABLO CC(C)OCc1nn(C)c2c1CC[N@H+](Cc1cccs1)C2 ZINC000096058970 426395305 /nfs/dbraw/zinc/39/53/05/426395305.db2.gz LJAZOJYERCFORH-UHFFFAOYSA-N 1 2 305.447 2.965 40 0 DFABLO CC(C)OCc1nn(C)c2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096058970 426395309 /nfs/dbraw/zinc/39/53/09/426395309.db2.gz LJAZOJYERCFORH-UHFFFAOYSA-N 1 2 305.447 2.965 40 0 DFABLO c1coc(C[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC000096085068 426395745 /nfs/dbraw/zinc/39/57/45/426395745.db2.gz CVSJMFVUUQQCHU-UHFFFAOYSA-N 1 2 324.384 2.856 40 0 DFABLO c1coc(C[N@H+]2CCCn3cnc(COc4cccnc4)c3C2)c1 ZINC000096085068 426395748 /nfs/dbraw/zinc/39/57/48/426395748.db2.gz CVSJMFVUUQQCHU-UHFFFAOYSA-N 1 2 324.384 2.856 40 0 DFABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cs1 ZINC000096046117 426390794 /nfs/dbraw/zinc/39/07/94/426390794.db2.gz ZXXYQWBPNNBAOV-APHBMKBZSA-N 1 2 316.430 2.594 40 0 DFABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cs1 ZINC000096046117 426390798 /nfs/dbraw/zinc/39/07/98/426390798.db2.gz ZXXYQWBPNNBAOV-APHBMKBZSA-N 1 2 316.430 2.594 40 0 DFABLO COC[C@H]1CN(Cc2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045051 426391303 /nfs/dbraw/zinc/39/13/03/426391303.db2.gz LFAIDYBXGOAKMM-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2ncn(CC3CC3)c21 ZINC000096045051 426391305 /nfs/dbraw/zinc/39/13/05/426391305.db2.gz LFAIDYBXGOAKMM-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(CC3CC3)c21 ZINC000096045051 426391309 /nfs/dbraw/zinc/39/13/09/426391309.db2.gz LFAIDYBXGOAKMM-OAHLLOKOSA-N 1 2 301.390 2.632 40 0 DFABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC000096057887 426393019 /nfs/dbraw/zinc/39/30/19/426393019.db2.gz VBIDCZUKVXTXLX-RCCFBDPRSA-N 1 2 305.393 2.984 40 0 DFABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cc1 ZINC000096057887 426393023 /nfs/dbraw/zinc/39/30/23/426393023.db2.gz VBIDCZUKVXTXLX-RCCFBDPRSA-N 1 2 305.393 2.984 40 0 DFABLO NC(=O)c1cc(N)ccc1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000225485806 426603037 /nfs/dbraw/zinc/60/30/37/426603037.db2.gz QTTIPADHHYQXBA-UHFFFAOYSA-N 1 2 309.413 2.827 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247839999 426961731 /nfs/dbraw/zinc/96/17/31/426961731.db2.gz KNTMEBYVITYQBB-KRWDZBQOSA-N 1 2 308.385 2.635 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21 ZINC000247839999 426961739 /nfs/dbraw/zinc/96/17/39/426961739.db2.gz KNTMEBYVITYQBB-KRWDZBQOSA-N 1 2 308.385 2.635 40 0 DFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCOCC1CC1 ZINC000248041544 426973552 /nfs/dbraw/zinc/97/35/52/426973552.db2.gz OZHOYFUVLIBMJR-OAHLLOKOSA-N 1 2 322.474 2.859 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCOc3ccccc3F)C2)[nH+]1 ZINC000257203757 427309281 /nfs/dbraw/zinc/30/92/81/427309281.db2.gz ARNBSGSIPNLHCV-CYBMUJFWSA-N 1 2 317.364 2.642 40 0 DFABLO Cc1cc2nc(C3CC[NH+](Cc4ccccn4)CC3)cc(=O)n2[nH]1 ZINC000257205084 427311611 /nfs/dbraw/zinc/31/16/11/427311611.db2.gz AXOHSJVUZPLGQP-UHFFFAOYSA-N 1 2 323.400 2.518 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2CCCOc2ccccc2F)[nH+]1 ZINC000257218702 427313324 /nfs/dbraw/zinc/31/33/24/427313324.db2.gz DEEIULXFLCJOAS-HNNXBMFYSA-N 1 2 319.380 2.700 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)nc3c2)[nH+]1 ZINC000257215893 427313871 /nfs/dbraw/zinc/31/38/71/427313871.db2.gz CSBWSTUZZOHQJW-OAHLLOKOSA-N 1 2 309.373 2.880 40 0 DFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](Cc2ccccn2)C1 ZINC000257213546 427314826 /nfs/dbraw/zinc/31/48/26/427314826.db2.gz CIAQPSKJPRLRFD-INIZCTEOSA-N 1 2 312.417 2.540 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257234282 427317119 /nfs/dbraw/zinc/31/71/19/427317119.db2.gz GSWHCACZADHEAT-CYBMUJFWSA-N 1 2 316.405 2.689 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257226888 427317923 /nfs/dbraw/zinc/31/79/23/427317923.db2.gz FMPRRSPHWKUWSF-INIZCTEOSA-N 1 2 319.380 2.700 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257226888 427317930 /nfs/dbraw/zinc/31/79/30/427317930.db2.gz FMPRRSPHWKUWSF-INIZCTEOSA-N 1 2 319.380 2.700 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257243044 427321719 /nfs/dbraw/zinc/32/17/19/427321719.db2.gz IFGZICJBNCXJQY-CYBMUJFWSA-N 1 2 309.373 2.614 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)[nH+]1 ZINC000257255422 427323339 /nfs/dbraw/zinc/32/33/39/427323339.db2.gz KHKVPCDTKJLSRX-CYBMUJFWSA-N 1 2 323.352 2.802 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)cc[nH+]1 ZINC000257254162 427323698 /nfs/dbraw/zinc/32/36/98/427323698.db2.gz KBYSKFYYXSTAPH-AWEZNQCLSA-N 1 2 312.373 2.966 40 0 DFABLO c1nc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)c[nH]1 ZINC000257248868 427325544 /nfs/dbraw/zinc/32/55/44/427325544.db2.gz JFOPXKJUIFCTBV-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO c1nc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ncccn3)c2)c[nH]1 ZINC000257248868 427325551 /nfs/dbraw/zinc/32/55/51/427325551.db2.gz JFOPXKJUIFCTBV-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO Cc1nc(C[N@H+]2CCC[C@H]2c2cncc(N(C)C)n2)cs1 ZINC000257260946 427328317 /nfs/dbraw/zinc/32/83/17/427328317.db2.gz LFEFCFNQYQBTGC-AWEZNQCLSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cncc(N(C)C)n2)cs1 ZINC000257260946 427328323 /nfs/dbraw/zinc/32/83/23/427328323.db2.gz LFEFCFNQYQBTGC-AWEZNQCLSA-N 1 2 303.435 2.645 40 0 DFABLO CC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2c[nH+]c(C)n2C)n1 ZINC000257270067 427331863 /nfs/dbraw/zinc/33/18/63/427331863.db2.gz MSQUNBPVUCYALC-OAHLLOKOSA-N 1 2 313.405 2.567 40 0 DFABLO O=c1cc([C@H]2CCCC[N@H+]2CCC(F)(F)F)nc2cc[nH]n21 ZINC000257324765 427333186 /nfs/dbraw/zinc/33/31/86/427333186.db2.gz WQBIKHOBDGVCFA-LLVKDONJSA-N 1 2 314.311 2.914 40 0 DFABLO O=c1cc([C@H]2CCCC[N@@H+]2CCC(F)(F)F)nc2cc[nH]n21 ZINC000257324765 427333193 /nfs/dbraw/zinc/33/31/93/427333193.db2.gz WQBIKHOBDGVCFA-LLVKDONJSA-N 1 2 314.311 2.914 40 0 DFABLO O=c1cc([C@@H]2CCCC[N@H+]2CCC(F)(F)F)nc2cc[nH]n21 ZINC000257324766 427333385 /nfs/dbraw/zinc/33/33/85/427333385.db2.gz WQBIKHOBDGVCFA-NSHDSACASA-N 1 2 314.311 2.914 40 0 DFABLO O=c1cc([C@@H]2CCCC[N@@H+]2CCC(F)(F)F)nc2cc[nH]n21 ZINC000257324766 427333388 /nfs/dbraw/zinc/33/33/88/427333388.db2.gz WQBIKHOBDGVCFA-NSHDSACASA-N 1 2 314.311 2.914 40 0 DFABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1occc1C)[C@H]2C ZINC000585097935 430479036 /nfs/dbraw/zinc/47/90/36/430479036.db2.gz PMZVZQZTVXCGDM-ZDUSSCGKSA-N 1 2 317.389 2.581 40 0 DFABLO CC[NH+]1CCN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)CC1 ZINC000016740203 279351379 /nfs/dbraw/zinc/35/13/79/279351379.db2.gz UJMZWXXXCHTYJA-UHFFFAOYSA-N 1 2 318.417 2.521 40 0 DFABLO C[NH+]1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027865962 290318083 /nfs/dbraw/zinc/31/80/83/290318083.db2.gz PGINMPJZCWDQNT-GJZGRUSLSA-N 1 2 323.348 2.970 40 0 biogenic,in-vivo DFABLO CC(C)Oc1ccc(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000192263179 323240910 /nfs/dbraw/zinc/24/09/10/323240910.db2.gz JWPHHISNZSAASG-CQSZACIVSA-N 1 2 313.401 2.896 40 0 DFABLO CS(=O)(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000195568269 323284279 /nfs/dbraw/zinc/28/42/79/323284279.db2.gz BQSKMEGCTCVDEO-UHFFFAOYSA-N 1 2 319.361 2.664 40 0 DFABLO c1ccc2c(c1)[nH]c1c2CCN2[C@H]([C@H]3CCOC3)[NH+]3CCC12CC3 ZINC000257212416 331948688 /nfs/dbraw/zinc/94/86/88/331948688.db2.gz CDHVULDMLOAIPM-IFXJQAMLSA-N 1 2 323.440 2.693 40 0 DFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1cccn1C)C2 ZINC000257243222 333806180 /nfs/dbraw/zinc/80/61/80/333806180.db2.gz IFYBMDBEYXOVGD-QGZVFWFLSA-N 1 2 320.396 2.927 40 0 DFABLO CN(C)c1[nH+]cccc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000078880600 185121827 /nfs/dbraw/zinc/12/18/27/185121827.db2.gz CHZVMNCNMCXNLY-UHFFFAOYSA-N 1 2 313.254 2.956 40 0 DFABLO CC(C)c1nnc([C@@H]2C[N@H+](CCc3cccs3)CCO2)[nH]1 ZINC000078892916 185123993 /nfs/dbraw/zinc/12/39/93/185123993.db2.gz NWFCTVZKQCFGFJ-ZDUSSCGKSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1nnc([C@@H]2C[N@@H+](CCc3cccs3)CCO2)[nH]1 ZINC000078892916 185123995 /nfs/dbraw/zinc/12/39/95/185123995.db2.gz NWFCTVZKQCFGFJ-ZDUSSCGKSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1n[nH]c([C@@H]2C[N@H+](CCc3cccs3)CCO2)n1 ZINC000078892916 185123997 /nfs/dbraw/zinc/12/39/97/185123997.db2.gz NWFCTVZKQCFGFJ-ZDUSSCGKSA-N 1 2 306.435 2.606 40 0 DFABLO CC(C)c1n[nH]c([C@@H]2C[N@@H+](CCc3cccs3)CCO2)n1 ZINC000078892916 185123999 /nfs/dbraw/zinc/12/39/99/185123999.db2.gz NWFCTVZKQCFGFJ-ZDUSSCGKSA-N 1 2 306.435 2.606 40 0 DFABLO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000078915063 185128357 /nfs/dbraw/zinc/12/83/57/185128357.db2.gz LMTROSFGALRAFP-CYBMUJFWSA-N 1 2 301.365 2.673 40 0 DFABLO C[C@H](CCc1ccccc1)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000079109284 185158925 /nfs/dbraw/zinc/15/89/25/185158925.db2.gz PBLSBRXJUQVQOF-CYBMUJFWSA-N 1 2 308.389 2.678 40 0 DFABLO CCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cn1 ZINC000012276704 398385692 /nfs/dbraw/zinc/38/56/92/398385692.db2.gz LVILTHVWZVEEJY-SJORKVTESA-N 1 2 322.412 2.582 40 0 DFABLO CCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cn1 ZINC000012276704 398385695 /nfs/dbraw/zinc/38/56/95/398385695.db2.gz LVILTHVWZVEEJY-SJORKVTESA-N 1 2 322.412 2.582 40 0 DFABLO COc1cc2c(nn1)CC[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000083925447 398390892 /nfs/dbraw/zinc/39/08/92/398390892.db2.gz SMZVQISHBMEKBP-UHFFFAOYSA-N 1 2 322.368 2.699 40 0 DFABLO COc1cc2c(nn1)CC[N@@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000083925447 398390897 /nfs/dbraw/zinc/39/08/97/398390897.db2.gz SMZVQISHBMEKBP-UHFFFAOYSA-N 1 2 322.368 2.699 40 0 DFABLO CO[C@]1(COc2cccc(C)c2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585273346 398437041 /nfs/dbraw/zinc/43/70/41/398437041.db2.gz CETLMUSHPYBJBQ-GOSISDBHSA-N 1 2 315.417 2.696 40 0 DFABLO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585273346 398437044 /nfs/dbraw/zinc/43/70/44/398437044.db2.gz CETLMUSHPYBJBQ-GOSISDBHSA-N 1 2 315.417 2.696 40 0 DFABLO CS(=O)(=O)N1CCC[C@@H](c2cccc(NC3CCCC3)[nH+]2)C1 ZINC000072364694 191132561 /nfs/dbraw/zinc/13/25/61/191132561.db2.gz AIWLIOMPBYMNGB-CYBMUJFWSA-N 1 2 323.462 2.575 40 0 DFABLO CN(C)c1cccc(C2CCN(C(=O)c3ccncc3)CC2)[nH+]1 ZINC000072368253 191138288 /nfs/dbraw/zinc/13/82/88/191138288.db2.gz OAIIBZAWJWODSH-UHFFFAOYSA-N 1 2 310.401 2.562 40 0 DFABLO CCN(C(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000046082548 398695013 /nfs/dbraw/zinc/69/50/13/398695013.db2.gz NARSNPLQGBKRBI-UHFFFAOYSA-N 1 2 323.440 2.862 40 0 DFABLO C[N@@H+]1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1c1ccccc1 ZINC000074563393 398753903 /nfs/dbraw/zinc/75/39/03/398753903.db2.gz IZGCZMWLXQVDAF-SFHVURJKSA-N 1 2 320.396 2.692 40 0 DFABLO C[N@H+]1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@H]1c1ccccc1 ZINC000074563393 398753907 /nfs/dbraw/zinc/75/39/07/398753907.db2.gz IZGCZMWLXQVDAF-SFHVURJKSA-N 1 2 320.396 2.692 40 0 DFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CCCC1 ZINC000081522045 192281471 /nfs/dbraw/zinc/28/14/71/192281471.db2.gz QRGCSRRDAFEDTC-UHFFFAOYSA-N 1 2 312.417 2.821 40 0 DFABLO Cc1cc(O)cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000078869740 398993372 /nfs/dbraw/zinc/99/33/72/398993372.db2.gz AOZKNSKOPHGRBB-UHFFFAOYSA-N 1 2 315.760 2.932 40 0 DFABLO COc1c(C)c[nH+]c(COc2cccc(-n3cncn3)c2)c1C ZINC000078950659 399001822 /nfs/dbraw/zinc/00/18/22/399001822.db2.gz XLZXKEUTELYPQT-UHFFFAOYSA-N 1 2 310.357 2.867 40 0 DFABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1Cc1cc(C)on1 ZINC000257298167 203023861 /nfs/dbraw/zinc/02/38/61/203023861.db2.gz RKLQBQTUUWKOLU-INIZCTEOSA-N 1 2 324.384 2.945 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cc(Cl)no2)[nH+]1 ZINC000257305674 203030335 /nfs/dbraw/zinc/03/03/35/203030335.db2.gz SQZLSDRJDCGRHU-NSHDSACASA-N 1 2 308.769 2.656 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccn3C)C2)cc[nH+]1 ZINC000257285568 203012899 /nfs/dbraw/zinc/01/28/99/203012899.db2.gz PHUJLIZLCYNHKV-OAHLLOKOSA-N 1 2 312.417 2.506 40 0 DFABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1 ZINC000257285911 203013564 /nfs/dbraw/zinc/01/35/64/203013564.db2.gz PJKGDCHAHXNSKS-CQSZACIVSA-N 1 2 315.348 2.635 40 0 DFABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Oc2ccccc2F)n1 ZINC000257285911 203013569 /nfs/dbraw/zinc/01/35/69/203013569.db2.gz PJKGDCHAHXNSKS-CQSZACIVSA-N 1 2 315.348 2.635 40 0 DFABLO Cc1cc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257311560 203037048 /nfs/dbraw/zinc/03/70/48/203037048.db2.gz UKARTOVKGRGBQJ-SFHVURJKSA-N 1 2 313.401 2.546 40 0 DFABLO Cc1cc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257311560 203037051 /nfs/dbraw/zinc/03/70/51/203037051.db2.gz UKARTOVKGRGBQJ-SFHVURJKSA-N 1 2 313.401 2.546 40 0 DFABLO Cn1c(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)nc2ccccc21 ZINC000257321791 203045466 /nfs/dbraw/zinc/04/54/66/203045466.db2.gz WDGDMZKNAPPLIP-CQSZACIVSA-N 1 2 309.417 2.751 40 0 DFABLO Cn1c(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)nc2ccccc21 ZINC000257321791 203045469 /nfs/dbraw/zinc/04/54/69/203045469.db2.gz WDGDMZKNAPPLIP-CQSZACIVSA-N 1 2 309.417 2.751 40 0 DFABLO CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)cc[nH+]1 ZINC000257338367 203060744 /nfs/dbraw/zinc/06/07/44/203060744.db2.gz YXBNDWUDTZHQLV-IWAYRVGRSA-N 1 2 322.412 2.920 40 0 DFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257339925 203062734 /nfs/dbraw/zinc/06/27/34/203062734.db2.gz ZDTTZUVRHPWVAP-OAHLLOKOSA-N 1 2 315.421 2.675 40 0 DFABLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194336773 399178400 /nfs/dbraw/zinc/17/84/00/399178400.db2.gz ZFHYLTKULBEDEM-CYBMUJFWSA-N 1 2 317.414 2.646 40 0 DFABLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cnc(-c2ccco2)s1 ZINC000194336773 399178408 /nfs/dbraw/zinc/17/84/08/399178408.db2.gz ZFHYLTKULBEDEM-CYBMUJFWSA-N 1 2 317.414 2.646 40 0 DFABLO Clc1cc(N[C@@H]2CCCOC2)ccc1C[NH+]1CCOCC1 ZINC000195560537 399186763 /nfs/dbraw/zinc/18/67/63/399186763.db2.gz YNDJXGQDSUGZND-OAHLLOKOSA-N 1 2 310.825 2.763 40 0 DFABLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccs1 ZINC000195576395 399188154 /nfs/dbraw/zinc/18/81/54/399188154.db2.gz YRXSNPGSHINJFQ-SNVBAGLBSA-N 1 2 300.343 2.642 40 0 DFABLO FC(F)(F)c1ccc(NC(=S)NCCc2c[nH+]c[nH]2)cc1 ZINC000017052674 182071702 /nfs/dbraw/zinc/07/17/02/182071702.db2.gz UHTJGCDRFZLPCF-UHFFFAOYSA-N 1 2 314.336 2.958 40 0 DFABLO FC(F)(F)c1ccc(NC(=S)NCCc2c[nH]c[nH+]2)cc1 ZINC000017052674 182071704 /nfs/dbraw/zinc/07/17/04/182071704.db2.gz UHTJGCDRFZLPCF-UHFFFAOYSA-N 1 2 314.336 2.958 40 0 DFABLO CCc1nc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1Cc1ccccc1 ZINC000019523282 182128128 /nfs/dbraw/zinc/12/81/28/182128128.db2.gz CKLKFKAHDSYJNE-ZBFHGGJFSA-N 1 2 319.412 2.949 40 0 DFABLO CCc1nc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1Cc1ccccc1 ZINC000019523282 182128130 /nfs/dbraw/zinc/12/81/30/182128130.db2.gz CKLKFKAHDSYJNE-ZBFHGGJFSA-N 1 2 319.412 2.949 40 0 DFABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)Cn2ccnc2)cc1 ZINC000019454513 182123591 /nfs/dbraw/zinc/12/35/91/182123591.db2.gz NTJOULBAIJUZSL-UHFFFAOYSA-N 1 2 309.373 2.831 40 0 DFABLO Cn1cc(-c2ccc([C@H]3CCC[N@@H+]3Cc3ncc[nH]3)nc2)cn1 ZINC000019688809 182136415 /nfs/dbraw/zinc/13/64/15/182136415.db2.gz UZTAJDHCWKPPHA-MRXNPFEDSA-N 1 2 308.389 2.542 40 0 DFABLO Cn1cc(-c2ccc([C@H]3CCC[N@H+]3Cc3ncc[nH]3)nc2)cn1 ZINC000019688809 182136417 /nfs/dbraw/zinc/13/64/17/182136417.db2.gz UZTAJDHCWKPPHA-MRXNPFEDSA-N 1 2 308.389 2.542 40 0 DFABLO C[C@@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccn1 ZINC000019655745 182134007 /nfs/dbraw/zinc/13/40/07/182134007.db2.gz JRRXUYXIIFUKQC-CQSZACIVSA-N 1 2 306.369 2.823 40 0 DFABLO CC(C)c1ccccc1O[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC000020104250 182187068 /nfs/dbraw/zinc/18/70/68/182187068.db2.gz SQIUUPOODLYRBJ-OAHLLOKOSA-N 1 2 315.417 2.980 40 0 DFABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000020107765 182187655 /nfs/dbraw/zinc/18/76/55/182187655.db2.gz JZWUBAFURNLXGZ-CQSZACIVSA-N 1 2 312.866 2.985 40 0 DFABLO CCC(=O)N(CCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000020437086 182217419 /nfs/dbraw/zinc/21/74/19/182217419.db2.gz XJRQDTRWMCCYPO-UHFFFAOYSA-N 1 2 310.825 2.805 40 0 DFABLO O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@H]1c1noc(C2CC2)n1 ZINC000084494137 542510727 /nfs/dbraw/zinc/51/07/27/542510727.db2.gz KJPXWJFRKAMPCD-ZDUSSCGKSA-N 1 2 323.356 2.572 40 0 DFABLO Cc1nn(C)c(Cl)c1CN1CCc2c([nH+]c(C3CC3)n2C)C1 ZINC000084012392 542505059 /nfs/dbraw/zinc/50/50/59/542505059.db2.gz UOPKYCLWHUBGGY-UHFFFAOYSA-N 1 2 319.840 2.551 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCc2c(nc(C3CC3)n2C)C1 ZINC000084012392 542505062 /nfs/dbraw/zinc/50/50/62/542505062.db2.gz UOPKYCLWHUBGGY-UHFFFAOYSA-N 1 2 319.840 2.551 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@H+]1CCc2c(nc(C3CC3)n2C)C1 ZINC000084012392 542505065 /nfs/dbraw/zinc/50/50/65/542505065.db2.gz UOPKYCLWHUBGGY-UHFFFAOYSA-N 1 2 319.840 2.551 40 0 DFABLO Cc1cc([C@H]2CCC[N@H+](Cc3nnc(C4CCC4)o3)C2)[nH]n1 ZINC000084111434 542505798 /nfs/dbraw/zinc/50/57/98/542505798.db2.gz PFORYUJUJUKZMP-ZDUSSCGKSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@H]2CCC[N@@H+](Cc3nnc(C4CCC4)o3)C2)[nH]n1 ZINC000084111434 542505800 /nfs/dbraw/zinc/50/58/00/542505800.db2.gz PFORYUJUJUKZMP-ZDUSSCGKSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@H]2CCC[N@H+](Cc3nnc(C4CCC4)o3)C2)n[nH]1 ZINC000084111434 542505802 /nfs/dbraw/zinc/50/58/02/542505802.db2.gz PFORYUJUJUKZMP-ZDUSSCGKSA-N 1 2 301.394 2.748 40 0 DFABLO Cc1cc([C@H]2CCC[N@@H+](Cc3nnc(C4CCC4)o3)C2)n[nH]1 ZINC000084111434 542505805 /nfs/dbraw/zinc/50/58/05/542505805.db2.gz PFORYUJUJUKZMP-ZDUSSCGKSA-N 1 2 301.394 2.748 40 0 DFABLO COCc1nc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084111359 542505917 /nfs/dbraw/zinc/50/59/17/542505917.db2.gz SKQBFQRFBUYDQX-GFCCVEGCSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084111359 542505920 /nfs/dbraw/zinc/50/59/20/542505920.db2.gz SKQBFQRFBUYDQX-GFCCVEGCSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084111359 542505926 /nfs/dbraw/zinc/50/59/26/542505926.db2.gz SKQBFQRFBUYDQX-GFCCVEGCSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084111359 542505927 /nfs/dbraw/zinc/50/59/27/542505927.db2.gz SKQBFQRFBUYDQX-GFCCVEGCSA-N 1 2 306.435 2.701 40 0 DFABLO O=C(Cn1cc[nH+]c1)N[C@H](Cc1cccs1)c1nccs1 ZINC000012087875 425718345 /nfs/dbraw/zinc/71/83/45/425718345.db2.gz QIWULVLBYHVPLK-GFCCVEGCSA-N 1 2 318.427 2.501 40 0 DFABLO COc1cccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)c1 ZINC000013565509 425757486 /nfs/dbraw/zinc/75/74/86/425757486.db2.gz WUMSWXPYDDGDHF-AWEZNQCLSA-N 1 2 304.434 2.774 40 0 DFABLO COc1cccc(C[N@H+]2CCN(C(=O)C(C)(C)C)[C@@H](C)C2)c1 ZINC000013565509 425757489 /nfs/dbraw/zinc/75/74/89/425757489.db2.gz WUMSWXPYDDGDHF-AWEZNQCLSA-N 1 2 304.434 2.774 40 0 DFABLO CN(C(=O)c1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000030752116 425832443 /nfs/dbraw/zinc/83/24/43/425832443.db2.gz YEAFGCLCQLQVLA-UHFFFAOYSA-N 1 2 316.445 2.924 40 0 DFABLO CC[C@H](Oc1ccccc1C)C(=O)NCCCn1cc[nH+]c1 ZINC000030851760 425832985 /nfs/dbraw/zinc/83/29/85/425832985.db2.gz UTIXOQMQFAWUGV-HNNXBMFYSA-N 1 2 301.390 2.555 40 0 DFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000079722126 426201544 /nfs/dbraw/zinc/20/15/44/426201544.db2.gz FZFXHQWSZCWYQU-AWEZNQCLSA-N 1 2 311.385 2.677 40 0 DFABLO c1cc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)no2)cs1 ZINC000084618548 426242175 /nfs/dbraw/zinc/24/21/75/426242175.db2.gz TVNXGPWXYYYRPN-RYUDHWBXSA-N 1 2 323.443 2.504 40 0 DFABLO c1cc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)no2)cs1 ZINC000084618548 426242178 /nfs/dbraw/zinc/24/21/78/426242178.db2.gz TVNXGPWXYYYRPN-RYUDHWBXSA-N 1 2 323.443 2.504 40 0 DFABLO CC(C)n1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000084633184 426242197 /nfs/dbraw/zinc/24/21/97/426242197.db2.gz MOORDYLPLWJOAH-UHFFFAOYSA-N 1 2 324.388 2.971 40 0 DFABLO Cc1cc(C)c(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)o1 ZINC000085265206 426249203 /nfs/dbraw/zinc/24/92/03/426249203.db2.gz ASIWLFXJJKVXTA-UHFFFAOYSA-N 1 2 321.446 2.536 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060211 426394826 /nfs/dbraw/zinc/39/48/26/426394826.db2.gz BVKSTIXYCJEGHX-CYBMUJFWSA-N 1 2 305.447 2.926 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060211 426394827 /nfs/dbraw/zinc/39/48/27/426394827.db2.gz BVKSTIXYCJEGHX-CYBMUJFWSA-N 1 2 305.447 2.926 40 0 DFABLO CC(C)COC[C@@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096060230 426395224 /nfs/dbraw/zinc/39/52/24/426395224.db2.gz GAXZSKJWJQRKRU-HNNXBMFYSA-N 1 2 303.406 2.785 40 0 DFABLO CC(C)COC[C@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060227 426395280 /nfs/dbraw/zinc/39/52/80/426395280.db2.gz JTEXCYYMJXSOPS-CQSZACIVSA-N 1 2 303.406 2.785 40 0 DFABLO CC(C)COC[C@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060227 426395281 /nfs/dbraw/zinc/39/52/81/426395281.db2.gz JTEXCYYMJXSOPS-CQSZACIVSA-N 1 2 303.406 2.785 40 0 DFABLO CC(C)COC[C@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060227 426395285 /nfs/dbraw/zinc/39/52/85/426395285.db2.gz JTEXCYYMJXSOPS-CQSZACIVSA-N 1 2 303.406 2.785 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2nn(CC3CC3)cc21 ZINC000096060438 426395357 /nfs/dbraw/zinc/39/53/57/426395357.db2.gz DODKGVUUPGBVPN-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2nn(CC3CC3)cc21 ZINC000096060438 426395360 /nfs/dbraw/zinc/39/53/60/426395360.db2.gz DODKGVUUPGBVPN-AWEZNQCLSA-N 1 2 301.390 2.632 40 0 DFABLO CC(C)COC[C@@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060226 426395476 /nfs/dbraw/zinc/39/54/76/426395476.db2.gz JTEXCYYMJXSOPS-AWEZNQCLSA-N 1 2 303.406 2.785 40 0 DFABLO CC(C)COC[C@@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060226 426395479 /nfs/dbraw/zinc/39/54/79/426395479.db2.gz JTEXCYYMJXSOPS-AWEZNQCLSA-N 1 2 303.406 2.785 40 0 DFABLO CC(C)COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060226 426395482 /nfs/dbraw/zinc/39/54/82/426395482.db2.gz JTEXCYYMJXSOPS-AWEZNQCLSA-N 1 2 303.406 2.785 40 0 DFABLO c1coc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC000096059013 426395493 /nfs/dbraw/zinc/39/54/93/426395493.db2.gz LIBWZMQGRXBJHX-UHFFFAOYSA-N 1 2 301.390 2.809 40 0 DFABLO c1coc(C[N@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC000096059013 426395494 /nfs/dbraw/zinc/39/54/94/426395494.db2.gz LIBWZMQGRXBJHX-UHFFFAOYSA-N 1 2 301.390 2.809 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 ZINC000096082776 426396138 /nfs/dbraw/zinc/39/61/38/426396138.db2.gz MPSHOBBCJQTEOS-RYQLBKOJSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 ZINC000096082776 426396139 /nfs/dbraw/zinc/39/61/39/426396139.db2.gz MPSHOBBCJQTEOS-RYQLBKOJSA-N 1 2 320.433 2.697 40 0 DFABLO c1ccc(N[C@H]2COC3(C2)CCN(c2cccnc2)CC3)[nH+]c1 ZINC000096074248 426396513 /nfs/dbraw/zinc/39/65/13/426396513.db2.gz SEOBSASVCNWZGN-OAHLLOKOSA-N 1 2 310.401 2.717 40 0 DFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](OCC(C)C)CC[C@@H]21 ZINC000096041483 426391292 /nfs/dbraw/zinc/39/12/92/426391292.db2.gz GZDQWZYSBYEPRG-SQWLQELKSA-N 1 2 310.463 2.856 40 0 DFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](OCC(C)C)CC[C@@H]21 ZINC000096041483 426391294 /nfs/dbraw/zinc/39/12/94/426391294.db2.gz GZDQWZYSBYEPRG-SQWLQELKSA-N 1 2 310.463 2.856 40 0 DFABLO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2nccs2)c1 ZINC000096055352 426393283 /nfs/dbraw/zinc/39/32/83/426393283.db2.gz RPCKWFHDAKLNJF-OFQRWUPVSA-N 1 2 303.431 2.624 40 0 DFABLO c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2nccs2)c1 ZINC000096055352 426393286 /nfs/dbraw/zinc/39/32/86/426393286.db2.gz RPCKWFHDAKLNJF-OFQRWUPVSA-N 1 2 303.431 2.624 40 0 DFABLO c1coc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000096250550 426411521 /nfs/dbraw/zinc/41/15/21/426411521.db2.gz CZJZKUGXZYIEOE-USXIJHARSA-N 1 2 314.385 2.733 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC000096250550 426411525 /nfs/dbraw/zinc/41/15/25/426411525.db2.gz CZJZKUGXZYIEOE-USXIJHARSA-N 1 2 314.385 2.733 40 0 DFABLO CCNc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328973115 427019405 /nfs/dbraw/zinc/01/94/05/427019405.db2.gz DYPTUPMDAFZIDK-UHFFFAOYSA-N 1 2 304.781 2.732 40 0 DFABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329020298 427028082 /nfs/dbraw/zinc/02/80/82/427028082.db2.gz OAGPVFVLZASPQR-NSHDSACASA-N 1 2 316.380 3.338 40 0 DFABLO CCNc1nc(NCc2ccc(C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329034249 427030212 /nfs/dbraw/zinc/03/02/12/427030212.db2.gz QWUKBSCYDGPCKN-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO Cc1nc(N(C)C)cc([C@@H]2CCCN2Cc2cscn2)[nH+]1 ZINC000257215197 427312760 /nfs/dbraw/zinc/31/27/60/427312760.db2.gz CPCWUSMPTIZMHK-AWEZNQCLSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257221926 427313310 /nfs/dbraw/zinc/31/33/10/427313310.db2.gz DREHICNKRYDUJX-GFCCVEGCSA-N 1 2 304.419 2.779 40 0 DFABLO COc1ccccc1[C@@H]1CN(Cc2csc(C)n2)CC[N@@H+]1C ZINC000257225051 427317044 /nfs/dbraw/zinc/31/70/44/427317044.db2.gz FEPCWHWCBIBDJS-INIZCTEOSA-N 1 2 317.458 2.949 40 0 DFABLO COc1ccccc1[C@@H]1CN(Cc2csc(C)n2)CC[N@H+]1C ZINC000257225051 427317050 /nfs/dbraw/zinc/31/70/50/427317050.db2.gz FEPCWHWCBIBDJS-INIZCTEOSA-N 1 2 317.458 2.949 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2sc(C)nc2C)[nH+]1 ZINC000257230423 427317711 /nfs/dbraw/zinc/31/77/11/427317711.db2.gz GCGCIGDIKOACRQ-LBPRGKRZSA-N 1 2 304.419 2.698 40 0 DFABLO Cc1nccc([C@H]2C[N@H+](Cc3cn(C)c4ccccc34)CCO2)n1 ZINC000257232089 427318647 /nfs/dbraw/zinc/31/86/47/427318647.db2.gz GJJFQALMGQPHMV-LJQANCHMSA-N 1 2 322.412 2.850 40 0 DFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ncccc2F)nc(C)n1 ZINC000257236437 427320806 /nfs/dbraw/zinc/32/08/06/427320806.db2.gz HCESLXUGNYFJFJ-OAHLLOKOSA-N 1 2 301.369 2.698 40 0 DFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ncccc2F)nc(C)n1 ZINC000257236437 427320811 /nfs/dbraw/zinc/32/08/11/427320811.db2.gz HCESLXUGNYFJFJ-OAHLLOKOSA-N 1 2 301.369 2.698 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257243141 427321697 /nfs/dbraw/zinc/32/16/97/427321697.db2.gz IFPYXDMYBSWKHR-AWEZNQCLSA-N 1 2 323.400 2.923 40 0 DFABLO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257269603 427326672 /nfs/dbraw/zinc/32/66/72/427326672.db2.gz MQQDDLCZUZBPEH-CQSZACIVSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257214783 279000232 /nfs/dbraw/zinc/00/02/32/279000232.db2.gz CNKTYSSLVNPYGG-ZDUSSCGKSA-N 1 2 318.446 2.822 40 0 DFABLO CCC[C@H]([NH2+]Cc1cocn1)C(=O)N1CCc2sccc2C1 ZINC000192304710 323240737 /nfs/dbraw/zinc/24/07/37/323240737.db2.gz BXCGCTWRQAIBFN-AWEZNQCLSA-N 1 2 319.430 2.579 40 0 DFABLO CCNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328958959 527995473 /nfs/dbraw/zinc/99/54/73/527995473.db2.gz ARHRHZVABWQRFD-UHFFFAOYSA-N 1 2 323.375 2.565 40 0 DFABLO Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(-c2ccncc2)[nH+]1 ZINC000078988169 185141095 /nfs/dbraw/zinc/14/10/95/185141095.db2.gz FPIUHXUDBUGBDL-AEFFLSMTSA-N 1 2 318.380 2.917 40 0 DFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000012242188 398385306 /nfs/dbraw/zinc/38/53/06/398385306.db2.gz ZXLVXWKCINQVTC-SJORKVTESA-N 1 2 322.412 2.664 40 0 DFABLO CCCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000012242188 398385309 /nfs/dbraw/zinc/38/53/09/398385309.db2.gz ZXLVXWKCINQVTC-SJORKVTESA-N 1 2 322.412 2.664 40 0 DFABLO C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)c2ccccc2S1 ZINC000585141165 398436139 /nfs/dbraw/zinc/43/61/39/398436139.db2.gz QRLZEEDUECBPJE-LBPRGKRZSA-N 1 2 301.415 2.880 40 0 DFABLO COc1c(Cl)cc(C(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000072206601 191077431 /nfs/dbraw/zinc/07/74/31/191077431.db2.gz VSFJZWQOBCYGPS-UHFFFAOYSA-N 1 2 310.825 2.860 40 0 DFABLO c1cncc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccncc3)[nH]2)c1 ZINC000072346447 191127997 /nfs/dbraw/zinc/12/79/97/191127997.db2.gz YKMWFIKUQBDUPI-OAHLLOKOSA-N 1 2 306.373 2.599 40 0 DFABLO c1cncc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccncc3)[nH]2)c1 ZINC000072346447 191127998 /nfs/dbraw/zinc/12/79/98/191127998.db2.gz YKMWFIKUQBDUPI-OAHLLOKOSA-N 1 2 306.373 2.599 40 0 DFABLO O=C(C1CCCC1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378509 191140495 /nfs/dbraw/zinc/14/04/95/191140495.db2.gz FDEVTHLVIMNQGS-HNNXBMFYSA-N 1 2 311.389 2.516 40 0 DFABLO O=C(c1ccccc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378400 191141630 /nfs/dbraw/zinc/14/16/30/191141630.db2.gz LXDCAEWXRYMRPJ-MRXNPFEDSA-N 1 2 319.368 2.640 40 0 DFABLO CCOc1cc(S(=O)(=O)Nc2cc[nH+]cc2)c(C)cc1C ZINC000072414388 191155335 /nfs/dbraw/zinc/15/53/35/191155335.db2.gz QLORBSLMXAPXJQ-UHFFFAOYSA-N 1 2 306.387 2.898 40 0 DFABLO C[NH+]1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC000045965630 398690871 /nfs/dbraw/zinc/69/08/71/398690871.db2.gz GNTNQAHRIONDFG-UHFFFAOYSA-N 1 2 300.427 2.706 40 0 DFABLO Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cn21 ZINC000078942316 399000357 /nfs/dbraw/zinc/00/03/57/399000357.db2.gz JRFWPGSNYIUHKA-GASCZTMLSA-N 1 2 310.401 2.750 40 0 DFABLO COc1ncccc1C(=O)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257237130 202972484 /nfs/dbraw/zinc/97/24/84/202972484.db2.gz HFHMGKXJJGTONV-OAHLLOKOSA-N 1 2 322.368 2.715 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)[nH+]1 ZINC000257337470 203060120 /nfs/dbraw/zinc/06/01/20/203060120.db2.gz YSWYHDLPYBRHTA-GFCCVEGCSA-N 1 2 304.419 2.811 40 0 DFABLO O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216737 193585139 /nfs/dbraw/zinc/58/51/39/193585139.db2.gz LJNQOHZUZYXRLQ-GOSISDBHSA-N 1 2 310.401 2.542 40 0 DFABLO C[C@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccn1 ZINC000019655747 182134616 /nfs/dbraw/zinc/13/46/16/182134616.db2.gz JRRXUYXIIFUKQC-AWEZNQCLSA-N 1 2 306.369 2.823 40 0 DFABLO CCOC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000020437089 182217361 /nfs/dbraw/zinc/21/73/61/182217361.db2.gz ZHLRBJJDIYSXCN-UHFFFAOYSA-N 1 2 322.380 2.563 40 0 DFABLO COc1ccc(S[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000054852321 542450994 /nfs/dbraw/zinc/45/09/94/542450994.db2.gz FSWKGLBGRFKZGD-ZDUSSCGKSA-N 1 2 319.430 2.579 40 0 DFABLO CCc1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3F)CCO2)[nH]1 ZINC000083830072 542503475 /nfs/dbraw/zinc/50/34/75/542503475.db2.gz CRAGUMZLVORVDV-SMDDNHRTSA-N 1 2 304.369 2.641 40 0 DFABLO CCc1nnc([C@H]2C[N@H+]([C@@H](C)c3ccccc3F)CCO2)[nH]1 ZINC000083830072 542503477 /nfs/dbraw/zinc/50/34/77/542503477.db2.gz CRAGUMZLVORVDV-SMDDNHRTSA-N 1 2 304.369 2.641 40 0 DFABLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC000083854174 542504252 /nfs/dbraw/zinc/50/42/52/542504252.db2.gz VDTNGVUIWJXHIG-UHFFFAOYSA-N 1 2 307.357 2.586 40 0 DFABLO Cc1cc(N)[nH+]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218540 257124616 /nfs/dbraw/zinc/12/46/16/257124616.db2.gz PGGVVGFYVQJHOJ-UHFFFAOYSA-N 1 2 307.394 2.850 40 0 DFABLO Cc1[nH+]c(N)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218600 257125251 /nfs/dbraw/zinc/12/52/51/257125251.db2.gz NZUNWEGGGRSIGS-UHFFFAOYSA-N 1 2 307.394 2.850 40 0 DFABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534112 257137381 /nfs/dbraw/zinc/13/73/81/257137381.db2.gz VUULVZFUFWSDOS-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1 ZINC000095534112 257137382 /nfs/dbraw/zinc/13/73/82/257137382.db2.gz VUULVZFUFWSDOS-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534112 257137383 /nfs/dbraw/zinc/13/73/83/257137383.db2.gz VUULVZFUFWSDOS-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO CCn1c(SCC[NH+]2CCOCC2)nnc1C1CCCCC1 ZINC000026099176 425809505 /nfs/dbraw/zinc/80/95/05/425809505.db2.gz ZTIXGZUFJDYPDM-UHFFFAOYSA-N 1 2 324.494 2.770 40 0 DFABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[NH+](C)CC2)c1 ZINC000045583335 425861636 /nfs/dbraw/zinc/86/16/36/425861636.db2.gz CGCHJTRTGZWPDM-OAHLLOKOSA-N 1 2 304.434 2.660 40 0 DFABLO CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](C)CC1 ZINC000030755585 425832616 /nfs/dbraw/zinc/83/26/16/425832616.db2.gz CJIFALBGMHHRIW-SFHVURJKSA-N 1 2 312.413 2.771 40 0 DFABLO CCC[N@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000070980141 425980217 /nfs/dbraw/zinc/98/02/17/425980217.db2.gz QZYAQYKVNSKLBL-CYBMUJFWSA-N 1 2 301.839 2.739 40 0 DFABLO CCC[N@@H+](Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000070980141 425980218 /nfs/dbraw/zinc/98/02/18/425980218.db2.gz QZYAQYKVNSKLBL-CYBMUJFWSA-N 1 2 301.839 2.739 40 0 DFABLO c1ccc2c(c1)[nH]c1c2CCN2[C@H]([C@@H]3CCOC3)[NH+]3CCC12CC3 ZINC000072326162 426015192 /nfs/dbraw/zinc/01/51/92/426015192.db2.gz CDHVULDMLOAIPM-AUUYWEPGSA-N 1 2 323.440 2.693 40 0 DFABLO COc1ccc(Cl)cc1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000078788058 426185500 /nfs/dbraw/zinc/18/55/00/426185500.db2.gz SFRUIBCHUDCWJH-UHFFFAOYSA-N 1 2 318.808 2.833 40 0 DFABLO COc1ccc(Cl)cc1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000078788058 426185503 /nfs/dbraw/zinc/18/55/03/426185503.db2.gz SFRUIBCHUDCWJH-UHFFFAOYSA-N 1 2 318.808 2.833 40 0 DFABLO CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2[nH+]cn(C)c21 ZINC000096060212 426394245 /nfs/dbraw/zinc/39/42/45/426394245.db2.gz CCNNJGZQQRSZMJ-AWEZNQCLSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060212 426394247 /nfs/dbraw/zinc/39/42/47/426394247.db2.gz CCNNJGZQQRSZMJ-AWEZNQCLSA-N 1 2 303.381 2.695 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ncn(C)c21 ZINC000096060212 426394249 /nfs/dbraw/zinc/39/42/49/426394249.db2.gz CCNNJGZQQRSZMJ-AWEZNQCLSA-N 1 2 303.381 2.695 40 0 DFABLO c1cc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cs1 ZINC000096058841 426394951 /nfs/dbraw/zinc/39/49/51/426394951.db2.gz DXYHTTFZKIDFQW-UHFFFAOYSA-N 1 2 318.446 2.672 40 0 DFABLO c1cc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cs1 ZINC000096058841 426394954 /nfs/dbraw/zinc/39/49/54/426394954.db2.gz DXYHTTFZKIDFQW-UHFFFAOYSA-N 1 2 318.446 2.672 40 0 DFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)o1 ZINC000096058041 426395039 /nfs/dbraw/zinc/39/50/39/426395039.db2.gz WBJDKLSVMROIEF-LZLYRXPVSA-N 1 2 314.385 2.794 40 0 DFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)o1 ZINC000096058041 426395041 /nfs/dbraw/zinc/39/50/41/426395041.db2.gz WBJDKLSVMROIEF-LZLYRXPVSA-N 1 2 314.385 2.794 40 0 DFABLO c1ccc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)nc1 ZINC000096059309 426395160 /nfs/dbraw/zinc/39/51/60/426395160.db2.gz KQPOPMDKYSIBIH-UHFFFAOYSA-N 1 2 309.413 2.962 40 0 DFABLO c1ccc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)nc1 ZINC000096059309 426395162 /nfs/dbraw/zinc/39/51/62/426395162.db2.gz KQPOPMDKYSIBIH-UHFFFAOYSA-N 1 2 309.413 2.962 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060450 426395515 /nfs/dbraw/zinc/39/55/15/426395515.db2.gz NNQSQTRDWGYRLM-HNNXBMFYSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nn(CC3CC3)cc21 ZINC000096060450 426395516 /nfs/dbraw/zinc/39/55/16/426395516.db2.gz NNQSQTRDWGYRLM-HNNXBMFYSA-N 1 2 315.417 2.940 40 0 DFABLO Fc1ccc2nc(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112219 426399607 /nfs/dbraw/zinc/39/96/07/426399607.db2.gz XPEKIVGLSQTLSQ-DOMZBBRYSA-N 1 2 307.344 2.793 40 0 biogenic,in-vitro DFABLO Fc1ccc2nc(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112219 426399610 /nfs/dbraw/zinc/39/96/10/426399610.db2.gz XPEKIVGLSQTLSQ-DOMZBBRYSA-N 1 2 307.344 2.793 40 0 biogenic,in-vitro DFABLO c1coc(C[N@H+]2CCc3c(CNc4ncccn4)cncc3C2)c1 ZINC000096189527 426404268 /nfs/dbraw/zinc/40/42/68/426404268.db2.gz SPEVCNGBBYTMEF-UHFFFAOYSA-N 1 2 321.384 2.635 40 0 DFABLO c1coc(C[N@@H+]2CCc3c(CNc4ncccn4)cncc3C2)c1 ZINC000096189527 426404271 /nfs/dbraw/zinc/40/42/71/426404271.db2.gz SPEVCNGBBYTMEF-UHFFFAOYSA-N 1 2 321.384 2.635 40 0 DFABLO Cc1ccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095534119 426374074 /nfs/dbraw/zinc/37/40/74/426374074.db2.gz AAHQRBGLECGQQH-MRXNPFEDSA-N 1 2 312.348 2.879 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042151 426390524 /nfs/dbraw/zinc/39/05/24/426390524.db2.gz LBQLAJNHWFETRV-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096042151 426390527 /nfs/dbraw/zinc/39/05/27/426390527.db2.gz LBQLAJNHWFETRV-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1sc(N2CCCC2)nc1[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000096218047 426408484 /nfs/dbraw/zinc/40/84/84/426408484.db2.gz DKXCYYKBARWRIH-HNNXBMFYSA-N 1 2 307.463 2.917 40 0 DFABLO c1sc(N2CCCC2)nc1[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000096218047 426408486 /nfs/dbraw/zinc/40/84/86/426408486.db2.gz DKXCYYKBARWRIH-HNNXBMFYSA-N 1 2 307.463 2.917 40 0 DFABLO CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000096531487 426439271 /nfs/dbraw/zinc/43/92/71/426439271.db2.gz HXHQAMLZVQGSJP-UHFFFAOYSA-N 1 2 305.378 2.602 40 0 DFABLO CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000096531487 426439275 /nfs/dbraw/zinc/43/92/75/426439275.db2.gz HXHQAMLZVQGSJP-UHFFFAOYSA-N 1 2 305.378 2.602 40 0 DFABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc2sncc2c1 ZINC000225173302 426597376 /nfs/dbraw/zinc/59/73/76/426597376.db2.gz XSYYPRYCZPJWOC-UHFFFAOYSA-N 1 2 317.443 2.870 40 0 DFABLO S=C(NCCCN1CCc2ccccc21)Nc1cc[nH+]cc1 ZINC000225561585 426606284 /nfs/dbraw/zinc/60/62/84/426606284.db2.gz FJAXPBPGAPTMTK-UHFFFAOYSA-N 1 2 312.442 2.821 40 0 DFABLO c1ccc(CN2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)nc1 ZINC000248126398 426981518 /nfs/dbraw/zinc/98/15/18/426981518.db2.gz XCTLTAWXRUISTK-MRXNPFEDSA-N 1 2 324.428 2.570 40 0 DFABLO c1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)cc1 ZINC000329034759 427031901 /nfs/dbraw/zinc/03/19/01/427031901.db2.gz QZNBPUHUBTZHLE-UHFFFAOYSA-N 1 2 317.396 2.569 40 0 DFABLO Fc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1F ZINC000329064696 427037128 /nfs/dbraw/zinc/03/71/28/427037128.db2.gz XMBPLNYWDVABAZ-UHFFFAOYSA-N 1 2 302.328 2.794 40 0 DFABLO Cc1c[nH]c(-c2cncc([C@H]3CCCN3c3cc(C)[nH+]cn3)n2)n1 ZINC000257206581 427309154 /nfs/dbraw/zinc/30/91/54/427309154.db2.gz BECIQGHTWSVDCP-OAHLLOKOSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)[nH+]1 ZINC000257210584 427311422 /nfs/dbraw/zinc/31/14/22/427311422.db2.gz BVGKEXGOSCDIJA-OAHLLOKOSA-N 1 2 309.369 2.858 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)[nH+]1 ZINC000257215886 427314704 /nfs/dbraw/zinc/31/47/04/427314704.db2.gz CSBCFYQIRLSAMO-LBPRGKRZSA-N 1 2 301.394 2.716 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)COc3cccc(F)c3)C2)[nH+]1 ZINC000257222389 427316048 /nfs/dbraw/zinc/31/60/48/427316048.db2.gz DTCLSZFQAWCZJV-ZDUSSCGKSA-N 1 2 317.364 2.642 40 0 DFABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257238911 427320265 /nfs/dbraw/zinc/32/02/65/427320265.db2.gz HNCDNQLXQLTADR-KRWDZBQOSA-N 1 2 322.416 2.782 40 0 DFABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257238911 427320272 /nfs/dbraw/zinc/32/02/72/427320272.db2.gz HNCDNQLXQLTADR-KRWDZBQOSA-N 1 2 322.416 2.782 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH+]1 ZINC000257235459 427321192 /nfs/dbraw/zinc/32/11/92/427321192.db2.gz GXZBKJCYTWFJMX-AWEZNQCLSA-N 1 2 308.385 2.840 40 0 DFABLO CN(C)c1cc([C@H]2CCCN2C(=O)CCc2cccnc2)cc[nH+]1 ZINC000257252655 427323305 /nfs/dbraw/zinc/32/33/05/427323305.db2.gz JVPJOYPUBOQPRG-QGZVFWFLSA-N 1 2 324.428 2.839 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccccc2C)[nH+]1 ZINC000257255651 427323728 /nfs/dbraw/zinc/32/37/28/427323728.db2.gz KIIOSVWYJCDHCJ-CYBMUJFWSA-N 1 2 305.403 2.552 40 0 DFABLO C[C@]1(O)C[N@H+](Cc2nccs2)CC[C@@H]1Oc1ccccc1 ZINC000257344698 427330222 /nfs/dbraw/zinc/33/02/22/427330222.db2.gz ZYILFIXMUORXMO-HOCLYGCPSA-N 1 2 304.415 2.547 40 0 DFABLO C[C@]1(O)C[N@@H+](Cc2nccs2)CC[C@@H]1Oc1ccccc1 ZINC000257344698 427330228 /nfs/dbraw/zinc/33/02/28/427330228.db2.gz ZYILFIXMUORXMO-HOCLYGCPSA-N 1 2 304.415 2.547 40 0 DFABLO CC(=O)N1CC[N@H+](CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000257320391 427330691 /nfs/dbraw/zinc/33/06/91/427330691.db2.gz VWPQJTLQZHWXCN-AWEZNQCLSA-N 1 2 300.324 2.844 40 0 DFABLO CC(=O)N1CC[N@@H+](CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000257320391 427330699 /nfs/dbraw/zinc/33/06/99/427330699.db2.gz VWPQJTLQZHWXCN-AWEZNQCLSA-N 1 2 300.324 2.844 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(OC)nc2)cc[nH+]1 ZINC000257283911 427331275 /nfs/dbraw/zinc/33/12/75/427331275.db2.gz PALNNOBPPOOGSQ-AWEZNQCLSA-N 1 2 312.373 2.504 40 0 DFABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000257271756 427332508 /nfs/dbraw/zinc/33/25/08/427332508.db2.gz MZRLZBSAOCIJPP-MRXNPFEDSA-N 1 2 324.384 2.545 40 0 DFABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000257271756 427332514 /nfs/dbraw/zinc/33/25/14/427332514.db2.gz MZRLZBSAOCIJPP-MRXNPFEDSA-N 1 2 324.384 2.545 40 0 DFABLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000106521594 298139607 /nfs/dbraw/zinc/13/96/07/298139607.db2.gz KVFJQGUOLLWFDD-GCJWCNFZSA-N 1 2 320.477 2.569 40 0 DFABLO COc1ccc(CC[S@@](=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000195579401 323284904 /nfs/dbraw/zinc/28/49/04/323284904.db2.gz GCYCWMWYDXXHAF-JOCHJYFZSA-N 1 2 314.410 2.834 40 0 DFABLO [NH3+][C@H](Cc1ccccc1)c1nnc(COc2ccc(F)cc2)[nH]1 ZINC000095534867 185378977 /nfs/dbraw/zinc/37/89/77/185378977.db2.gz GGULNWXWAQSJDB-OAHLLOKOSA-N 1 2 312.348 2.765 40 0 DFABLO O=[S@](Cc1[nH+]ccn1Cc1ccccc1)c1ccc(O)cc1 ZINC000078953773 185135296 /nfs/dbraw/zinc/13/52/96/185135296.db2.gz OZSWKMMOAICNTI-QFIPXVFZSA-N 1 2 312.394 2.945 40 0 DFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000079349327 185166091 /nfs/dbraw/zinc/16/60/91/185166091.db2.gz YKFDEQFOLPBXHC-RDJZCZTQSA-N 1 2 302.422 2.804 40 0 DFABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC(F)(F)CC2)cn1 ZINC000585182517 398437700 /nfs/dbraw/zinc/43/77/00/398437700.db2.gz VVJDTWQOBNPNJL-UHFFFAOYSA-N 1 2 320.343 2.701 40 0 DFABLO CO[C@@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273687 398437714 /nfs/dbraw/zinc/43/77/14/398437714.db2.gz DAMABAKSGMRACC-GDBMZVCRSA-N 1 2 303.381 2.628 40 0 DFABLO CO[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273687 398437716 /nfs/dbraw/zinc/43/77/16/398437716.db2.gz DAMABAKSGMRACC-GDBMZVCRSA-N 1 2 303.381 2.628 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CC[N@H+](Cc2cc(C)on2)C1 ZINC000585275192 398438562 /nfs/dbraw/zinc/43/85/62/398438562.db2.gz ZPUOQISECUCXOA-SFHVURJKSA-N 1 2 316.401 2.961 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000585275192 398438568 /nfs/dbraw/zinc/43/85/68/398438568.db2.gz ZPUOQISECUCXOA-SFHVURJKSA-N 1 2 316.401 2.961 40 0 DFABLO Cc1cccc2[nH+]c(CNC(=O)N3CCSC(C)(C)C3)cn21 ZINC000083655210 192377621 /nfs/dbraw/zinc/37/76/21/192377621.db2.gz FEDYCJHSHSNBBO-UHFFFAOYSA-N 1 2 318.446 2.680 40 0 DFABLO COc1ccc([S@@](=O)Cc2cn3ccccc3[nH+]2)cc1OC ZINC000083977913 192393402 /nfs/dbraw/zinc/39/34/02/192393402.db2.gz BWCYBHPVFFMAMU-JOCHJYFZSA-N 1 2 316.382 2.659 40 0 DFABLO Cc1nc(N2CCC[C@H]2c2ccnc(-c3ccccn3)n2)cc[nH+]1 ZINC000072355883 191129750 /nfs/dbraw/zinc/12/97/50/191129750.db2.gz WPSAYIJREXFXOM-INIZCTEOSA-N 1 2 318.384 2.979 40 0 DFABLO CC(=O)Nc1nc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cs1 ZINC000072369097 191138553 /nfs/dbraw/zinc/13/85/53/191138553.db2.gz ZLHMOXRFIXRYIL-LBPRGKRZSA-N 1 2 317.418 2.584 40 0 DFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2ncccn2)n1 ZINC000072379206 191140334 /nfs/dbraw/zinc/14/03/34/191140334.db2.gz HAQCELCRBJPECX-OAHLLOKOSA-N 1 2 320.400 2.961 40 0 DFABLO O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378427 191140579 /nfs/dbraw/zinc/14/05/79/191140579.db2.gz OMVDYNGMGYJMMT-MRXNPFEDSA-N 1 2 319.368 2.640 40 0 DFABLO C[C@H](SCc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000047081083 398735964 /nfs/dbraw/zinc/73/59/64/398735964.db2.gz HDHMFAYOSIONBH-AWEZNQCLSA-N 1 2 303.431 2.711 40 0 DFABLO C[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)Oc1ccc(Cl)cc1 ZINC000081350065 192254766 /nfs/dbraw/zinc/25/47/66/192254766.db2.gz QLRDGWIIXANKBO-NEPJUHHUSA-N 1 2 307.781 2.681 40 0 DFABLO Cc1cc(CCC(=O)NCc2[nH]cc[nH+]2)ccc1Br ZINC000081756516 192320302 /nfs/dbraw/zinc/32/03/02/192320302.db2.gz PRGMUVYKIKHXOJ-UHFFFAOYSA-N 1 2 322.206 2.730 40 0 DFABLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccncc1 ZINC000193369221 201041842 /nfs/dbraw/zinc/04/18/42/201041842.db2.gz MSEWVJLTUVGPJJ-LBPRGKRZSA-N 1 2 301.419 2.598 40 0 DFABLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccncc1 ZINC000193369221 201041843 /nfs/dbraw/zinc/04/18/43/201041843.db2.gz MSEWVJLTUVGPJJ-LBPRGKRZSA-N 1 2 301.419 2.598 40 0 DFABLO Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257236103 202970374 /nfs/dbraw/zinc/97/03/74/202970374.db2.gz HATYEKKCYALNRJ-CQSZACIVSA-N 1 2 324.388 2.809 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)[nH+]1 ZINC000257278658 203005835 /nfs/dbraw/zinc/00/58/35/203005835.db2.gz ODCRTJGBLMEDLR-CQSZACIVSA-N 1 2 309.373 2.652 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1[nH+]c(C)cn1C ZINC000257272726 203002668 /nfs/dbraw/zinc/00/26/68/203002668.db2.gz NDODWKNMJNJQEP-CYBMUJFWSA-N 1 2 302.378 2.565 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cn3cc(C)ccc3n2)[nH+]1 ZINC000257278657 203005256 /nfs/dbraw/zinc/00/52/56/203005256.db2.gz ODCRTJGBLMEDLR-AWEZNQCLSA-N 1 2 309.373 2.652 40 0 DFABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257277723 203005280 /nfs/dbraw/zinc/00/52/80/203005280.db2.gz NZCXPGUSIOTYHN-MRXNPFEDSA-N 1 2 320.396 2.944 40 0 DFABLO Cc1noc(C)c1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257296183 203021769 /nfs/dbraw/zinc/02/17/69/203021769.db2.gz RBPOSEXKSDXEMF-HNNXBMFYSA-N 1 2 322.368 2.885 40 0 DFABLO COc1ccc([C@H]2CN(C(=O)c3ccsc3)CC[N@@H+]2C)cc1 ZINC000257278572 203006707 /nfs/dbraw/zinc/00/67/07/203006707.db2.gz OCUKFUHTTUPXBA-MRXNPFEDSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccc([C@H]2CN(C(=O)c3ccsc3)CC[N@H+]2C)cc1 ZINC000257278572 203006711 /nfs/dbraw/zinc/00/67/11/203006711.db2.gz OCUKFUHTTUPXBA-MRXNPFEDSA-N 1 2 316.426 2.886 40 0 DFABLO Nc1cccc([C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)n1 ZINC000257283488 203010170 /nfs/dbraw/zinc/01/01/70/203010170.db2.gz OYOBHSNWLQNJLP-SFHVURJKSA-N 1 2 320.396 2.786 40 0 DFABLO Nc1cccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)n1 ZINC000257283488 203010174 /nfs/dbraw/zinc/01/01/74/203010174.db2.gz OYOBHSNWLQNJLP-SFHVURJKSA-N 1 2 320.396 2.786 40 0 DFABLO CNc1cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)cc[nH+]1 ZINC000257286314 203013775 /nfs/dbraw/zinc/01/37/75/203013775.db2.gz PLCGNBRFYVKTEM-CYBMUJFWSA-N 1 2 316.430 2.908 40 0 DFABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cncs2)cc(N(C)C)n1 ZINC000257313052 203037365 /nfs/dbraw/zinc/03/73/65/203037365.db2.gz UQUFDDMIOPUSBI-CQSZACIVSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1nc([C@H]2CCC[N@H+]2Cc2cncs2)cc(N(C)C)n1 ZINC000257313052 203037369 /nfs/dbraw/zinc/03/73/69/203037369.db2.gz UQUFDDMIOPUSBI-CQSZACIVSA-N 1 2 303.435 2.645 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cn3c(cccc3C)n2)[nH+]1 ZINC000257343065 203065943 /nfs/dbraw/zinc/06/59/43/203065943.db2.gz ZRIKKSHXOOZYQC-CQSZACIVSA-N 1 2 309.373 2.652 40 0 DFABLO Cc1cccn2cc(CCNc3nc4ccccc4c(=O)[nH]3)[nH+]c12 ZINC000080676066 399169216 /nfs/dbraw/zinc/16/92/16/399169216.db2.gz IPXGWALERUFYPV-UHFFFAOYSA-N 1 2 319.368 2.534 40 0 DFABLO Cc1nn(C)cc1-c1c[nH+]cn1CCc1ccc2c(c1)OCCO2 ZINC000019719420 182137235 /nfs/dbraw/zinc/13/72/35/182137235.db2.gz GGRVLVMFMPFVRI-UHFFFAOYSA-N 1 2 324.384 2.606 40 0 DFABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000020110415 182187821 /nfs/dbraw/zinc/18/78/21/182187821.db2.gz RKBFUDRCYNGZNY-KRWDZBQOSA-N 1 2 315.417 2.864 40 0 DFABLO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020453538 182219344 /nfs/dbraw/zinc/21/93/44/182219344.db2.gz CIWPCWANZUJUTH-UHFFFAOYSA-N 1 2 321.380 2.740 40 0 DFABLO CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000020491117 182223821 /nfs/dbraw/zinc/22/38/21/182223821.db2.gz KQQJNPDPDRIRDZ-UHFFFAOYSA-N 1 2 302.418 2.533 40 0 DFABLO Cc1cc(Cl)cc2c(=O)c(C[NH+]3CCN(C)CC3)c(C)[nH]c12 ZINC000022861488 182337577 /nfs/dbraw/zinc/33/75/77/182337577.db2.gz QETAQFAYHWYMCG-UHFFFAOYSA-N 1 2 319.836 2.546 40 0 DFABLO Cc1cc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)on1 ZINC000081931516 542499673 /nfs/dbraw/zinc/49/96/73/542499673.db2.gz KPIGASZBXAIGFC-UHFFFAOYSA-N 1 2 324.384 2.742 40 0 DFABLO COCc1nc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084111361 542506004 /nfs/dbraw/zinc/50/60/04/542506004.db2.gz SKQBFQRFBUYDQX-LBPRGKRZSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084111361 542506007 /nfs/dbraw/zinc/50/60/07/542506007.db2.gz SKQBFQRFBUYDQX-LBPRGKRZSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084111361 542506010 /nfs/dbraw/zinc/50/60/10/542506010.db2.gz SKQBFQRFBUYDQX-LBPRGKRZSA-N 1 2 306.435 2.701 40 0 DFABLO COCc1nc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084111361 542506013 /nfs/dbraw/zinc/50/60/13/542506013.db2.gz SKQBFQRFBUYDQX-LBPRGKRZSA-N 1 2 306.435 2.701 40 0 DFABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(C)cc3)n2)c1 ZINC000095534120 257137420 /nfs/dbraw/zinc/13/74/20/257137420.db2.gz ZSRRXGSZHYYXBE-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)c1 ZINC000095534120 257137421 /nfs/dbraw/zinc/13/74/21/257137421.db2.gz ZSRRXGSZHYYXBE-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3ccc(C)cc3)n[nH]2)c1 ZINC000095534120 257137422 /nfs/dbraw/zinc/13/74/22/257137422.db2.gz ZSRRXGSZHYYXBE-KRWDZBQOSA-N 1 2 323.400 2.782 40 0 DFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CC2)CC1 ZINC000012221308 425722165 /nfs/dbraw/zinc/72/21/65/425722165.db2.gz ACRWTPUESSABDI-UHFFFAOYSA-N 1 2 312.417 2.551 40 0 DFABLO CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21[NH2+]CCO1 ZINC000022238445 425797513 /nfs/dbraw/zinc/79/75/13/425797513.db2.gz QCAYOGHBCBLICE-ZMZPIMSZSA-N 1 2 300.402 2.654 40 0 DFABLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028210430 425820807 /nfs/dbraw/zinc/82/08/07/425820807.db2.gz KYWTUXJCVNCDDI-UHFFFAOYSA-N 1 2 316.351 2.923 40 0 DFABLO CC[C@@H](Oc1ccccc1C)C(=O)NCCCn1cc[nH+]c1 ZINC000030851755 425833074 /nfs/dbraw/zinc/83/30/74/425833074.db2.gz UTIXOQMQFAWUGV-OAHLLOKOSA-N 1 2 301.390 2.555 40 0 DFABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(SC)n2)cc1 ZINC000049467412 425879283 /nfs/dbraw/zinc/87/92/83/425879283.db2.gz GYCKZOXFCMYCIO-UHFFFAOYSA-N 1 2 304.375 2.701 40 0 DFABLO Cc1cc(Nc2nccs2)nc([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000072382373 426016074 /nfs/dbraw/zinc/01/60/74/426016074.db2.gz MWEARLFGJBOCPJ-LBPRGKRZSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1cc(Nc2nccs2)nc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072382373 426016078 /nfs/dbraw/zinc/01/60/78/426016078.db2.gz MWEARLFGJBOCPJ-LBPRGKRZSA-N 1 2 319.434 2.504 40 0 DFABLO Cn1cc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)ccc1=O ZINC000078806396 426186595 /nfs/dbraw/zinc/18/65/95/426186595.db2.gz RZGIAJRFMYIATG-UHFFFAOYSA-N 1 2 321.336 2.825 40 0 DFABLO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000083843621 426230519 /nfs/dbraw/zinc/23/05/19/426230519.db2.gz PQUSITZUUPGXOH-CYBMUJFWSA-N 1 2 301.394 2.543 40 0 DFABLO CCn1ccnc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000083843621 426230523 /nfs/dbraw/zinc/23/05/23/426230523.db2.gz PQUSITZUUPGXOH-CYBMUJFWSA-N 1 2 301.394 2.543 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096060215 426394645 /nfs/dbraw/zinc/39/46/45/426394645.db2.gz BZRSSFFXVJHPMQ-OAHLLOKOSA-N 1 2 315.417 2.565 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096060215 426394647 /nfs/dbraw/zinc/39/46/47/426394647.db2.gz BZRSSFFXVJHPMQ-OAHLLOKOSA-N 1 2 315.417 2.565 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccoc1)C2 ZINC000096198267 426406670 /nfs/dbraw/zinc/40/66/70/426406670.db2.gz UGIMZVSHBGDTRR-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO COCc1cnc2n1CC[N@@H+](Cc1ccccc1OC)[C@H]2C ZINC000096109579 426399500 /nfs/dbraw/zinc/39/95/00/426399500.db2.gz KPUVZQBSOIYCIK-ZDUSSCGKSA-N 1 2 301.390 2.615 40 0 DFABLO COCc1cnc2n1CC[N@H+](Cc1ccccc1OC)[C@H]2C ZINC000096109579 426399502 /nfs/dbraw/zinc/39/95/02/426399502.db2.gz KPUVZQBSOIYCIK-ZDUSSCGKSA-N 1 2 301.390 2.615 40 0 DFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc(C)o1 ZINC000096197855 426405777 /nfs/dbraw/zinc/40/57/77/426405777.db2.gz NEJDVQTZWAHEGY-KRWDZBQOSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096197855 426405780 /nfs/dbraw/zinc/40/57/80/426405780.db2.gz NEJDVQTZWAHEGY-KRWDZBQOSA-N 1 2 315.417 2.940 40 0 DFABLO Cc1csc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046140 426390502 /nfs/dbraw/zinc/39/05/02/426390502.db2.gz WCTTVKVXNWAAKA-NWANDNLSSA-N 1 2 316.430 2.594 40 0 DFABLO Cc1csc(C[N@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)n1 ZINC000096046140 426390505 /nfs/dbraw/zinc/39/05/05/426390505.db2.gz WCTTVKVXNWAAKA-NWANDNLSSA-N 1 2 316.430 2.594 40 0 DFABLO Cn1ncc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccoc1)C2 ZINC000096198267 426406667 /nfs/dbraw/zinc/40/66/67/426406667.db2.gz UGIMZVSHBGDTRR-MRXNPFEDSA-N 1 2 301.390 2.539 40 0 DFABLO c1cc(C[N@@H+]2[C@H]3COC[C@@H]2CC(Oc2cccnc2)C3)cs1 ZINC000096252521 426411086 /nfs/dbraw/zinc/41/10/86/426411086.db2.gz GITBKYSDJSGFEW-FKEKPDDDSA-N 1 2 316.426 2.954 40 0 DFABLO c1cc(C[N@H+]2[C@H]3COC[C@@H]2CC(Oc2cccnc2)C3)cs1 ZINC000096252521 426411088 /nfs/dbraw/zinc/41/10/88/426411088.db2.gz GITBKYSDJSGFEW-FKEKPDDDSA-N 1 2 316.426 2.954 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCc2nc(NC(C)C)nc(C)c2C1 ZINC000096253905 426411576 /nfs/dbraw/zinc/41/15/76/426411576.db2.gz QLYWWJQJUFUVPM-UHFFFAOYSA-N 1 2 315.421 2.768 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCc2nc(NC(C)C)nc(C)c2C1 ZINC000096253905 426411580 /nfs/dbraw/zinc/41/15/80/426411580.db2.gz QLYWWJQJUFUVPM-UHFFFAOYSA-N 1 2 315.421 2.768 40 0 DFABLO Cc1cc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000100145475 426480977 /nfs/dbraw/zinc/48/09/77/426480977.db2.gz ARPGUVAGINPPOT-HNNXBMFYSA-N 1 2 308.385 2.733 40 0 DFABLO Cc1cc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)n2[nH]1 ZINC000100145475 426480980 /nfs/dbraw/zinc/48/09/80/426480980.db2.gz ARPGUVAGINPPOT-HNNXBMFYSA-N 1 2 308.385 2.733 40 0 DFABLO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)[C@H]1COCC[NH2+]1 ZINC000195543336 426539068 /nfs/dbraw/zinc/53/90/68/426539068.db2.gz SSUHCJBEDXNFJY-CQSZACIVSA-N 1 2 324.808 2.588 40 0 DFABLO COc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1Cl ZINC000225520671 426603528 /nfs/dbraw/zinc/60/35/28/426603528.db2.gz JHMTWPFGOUOWAV-UHFFFAOYSA-N 1 2 324.837 2.922 40 0 DFABLO CC(C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc[nH+]1 ZINC000328973673 427018254 /nfs/dbraw/zinc/01/82/54/427018254.db2.gz FCJBWLFNMBVNKK-CYBMUJFWSA-N 1 2 312.417 2.913 40 0 DFABLO CC(C)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]cn1 ZINC000328973673 427018259 /nfs/dbraw/zinc/01/82/59/427018259.db2.gz FCJBWLFNMBVNKK-CYBMUJFWSA-N 1 2 312.417 2.913 40 0 DFABLO Fc1ccc(F)c(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1F ZINC000328974878 427019107 /nfs/dbraw/zinc/01/91/07/427019107.db2.gz FHIJMPGDFKYSMA-UHFFFAOYSA-N 1 2 320.318 2.933 40 0 DFABLO CNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328973124 427019129 /nfs/dbraw/zinc/01/91/29/427019129.db2.gz DYUCVPPHFLRTAO-UHFFFAOYSA-N 1 2 324.306 2.882 40 0 DFABLO CC(C)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329069714 427036287 /nfs/dbraw/zinc/03/62/87/427036287.db2.gz ZAABAUUXKLLTEF-UHFFFAOYSA-N 1 2 319.412 2.815 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 ZINC000252001711 427170614 /nfs/dbraw/zinc/17/06/14/427170614.db2.gz MPSHOBBCJQTEOS-BPQIPLTHSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 ZINC000252001711 427170619 /nfs/dbraw/zinc/17/06/19/427170619.db2.gz MPSHOBBCJQTEOS-BPQIPLTHSA-N 1 2 320.433 2.697 40 0 DFABLO CC(C)n1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cn1 ZINC000256054361 427304399 /nfs/dbraw/zinc/30/43/99/427304399.db2.gz VZMFEZVKVYEEPW-UHFFFAOYSA-N 1 2 301.316 2.513 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)[nH+]1 ZINC000257201127 427311373 /nfs/dbraw/zinc/31/13/73/427311373.db2.gz AGKPCETUZKQIDC-CYBMUJFWSA-N 1 2 316.405 2.860 40 0 DFABLO C[C@]1(O)CC[N@H+](Cc2nccs2)C[C@@H]1Oc1cccc(F)c1 ZINC000257214242 427313283 /nfs/dbraw/zinc/31/32/83/427313283.db2.gz CLEZGPPOZBJPAK-HOCLYGCPSA-N 1 2 322.405 2.687 40 0 DFABLO C[C@]1(O)CC[N@@H+](Cc2nccs2)C[C@@H]1Oc1cccc(F)c1 ZINC000257214242 427313290 /nfs/dbraw/zinc/31/32/90/427313290.db2.gz CLEZGPPOZBJPAK-HOCLYGCPSA-N 1 2 322.405 2.687 40 0 DFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1ocnc1C)C2 ZINC000257222903 427317320 /nfs/dbraw/zinc/31/73/20/427317320.db2.gz DVCIJXVOWZJKMG-OAHLLOKOSA-N 1 2 322.368 2.885 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2sc(C)nc2C)[nH+]1 ZINC000257230422 427318132 /nfs/dbraw/zinc/31/81/32/427318132.db2.gz GCGCIGDIKOACRQ-GFCCVEGCSA-N 1 2 304.419 2.698 40 0 DFABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000257242209 427320177 /nfs/dbraw/zinc/32/01/77/427320177.db2.gz IBNJVFXTSACFRT-OAHLLOKOSA-N 1 2 303.431 2.783 40 0 DFABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000257242209 427320183 /nfs/dbraw/zinc/32/01/83/427320183.db2.gz IBNJVFXTSACFRT-OAHLLOKOSA-N 1 2 303.431 2.783 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)cc[nH+]1 ZINC000257240503 427320352 /nfs/dbraw/zinc/32/03/52/427320352.db2.gz HTTYRPHSSWMKQW-OAHLLOKOSA-N 1 2 323.400 2.768 40 0 DFABLO CNc1cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)cc[nH+]1 ZINC000257241224 427320899 /nfs/dbraw/zinc/32/08/99/427320899.db2.gz HXFAQFMDGJQJOH-AWEZNQCLSA-N 1 2 316.430 2.794 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000257246039 427321096 /nfs/dbraw/zinc/32/10/96/427321096.db2.gz ISEGPRPHUJCCLP-CQSZACIVSA-N 1 2 305.422 2.509 40 0 DFABLO Cc1ocnc1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257246275 427321914 /nfs/dbraw/zinc/32/19/14/427321914.db2.gz ITKJSPLLSVSWTR-AWEZNQCLSA-N 1 2 308.341 2.577 40 0 DFABLO COc1ccc([C@H]2CN(Cc3cncs3)CC[N@@H+]2C)cc1 ZINC000257257155 427324570 /nfs/dbraw/zinc/32/45/70/427324570.db2.gz KOGYACASSLEAPW-MRXNPFEDSA-N 1 2 303.431 2.640 40 0 DFABLO COc1ccc([C@H]2CN(Cc3cncs3)CC[N@H+]2C)cc1 ZINC000257257155 427324577 /nfs/dbraw/zinc/32/45/77/427324577.db2.gz KOGYACASSLEAPW-MRXNPFEDSA-N 1 2 303.431 2.640 40 0 DFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCO)c1 ZINC000257261834 427329393 /nfs/dbraw/zinc/32/93/93/427329393.db2.gz LIYQHNIFOBLGCW-KRWDZBQOSA-N 1 2 315.417 2.816 40 0 DFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cccc(OCCO)c1 ZINC000257261834 427329400 /nfs/dbraw/zinc/32/94/00/427329400.db2.gz LIYQHNIFOBLGCW-KRWDZBQOSA-N 1 2 315.417 2.816 40 0 DFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)no1 ZINC000257265741 427329490 /nfs/dbraw/zinc/32/94/90/427329490.db2.gz MABQPVWVJHWGPO-INIZCTEOSA-N 1 2 322.368 2.831 40 0 DFABLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000191959391 427451589 /nfs/dbraw/zinc/45/15/89/427451589.db2.gz DWDRPPDJKHRCIL-CYBMUJFWSA-N 1 2 309.410 2.678 40 0 DFABLO Cc1nc([C@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000194042284 427727981 /nfs/dbraw/zinc/72/79/81/427727981.db2.gz FSEJMCHHVHYTPL-CZUORRHYSA-N 1 2 300.406 2.680 40 0 DFABLO Cc1nc([C@H]2C[N@@H+](CC[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000194042284 427727984 /nfs/dbraw/zinc/72/79/84/427727984.db2.gz FSEJMCHHVHYTPL-CZUORRHYSA-N 1 2 300.406 2.680 40 0 DFABLO COc1ncccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000193335941 323253414 /nfs/dbraw/zinc/25/34/14/323253414.db2.gz RATXOIPMYLZIKV-UHFFFAOYSA-N 1 2 324.384 2.554 40 0 DFABLO CCOC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2c[nH+]cn21 ZINC000306127598 529032304 /nfs/dbraw/zinc/03/23/04/529032304.db2.gz GDCPUEODNORUGR-VBROQKIQSA-N 1 2 317.414 2.578 40 0 DFABLO CO[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274421 398438475 /nfs/dbraw/zinc/43/84/75/398438475.db2.gz KWPXAMXEXBBVCJ-KRWDZBQOSA-N 1 2 319.380 2.527 40 0 DFABLO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274421 398438480 /nfs/dbraw/zinc/43/84/80/398438480.db2.gz KWPXAMXEXBBVCJ-KRWDZBQOSA-N 1 2 319.380 2.527 40 0 DFABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)NC(C)C)nc2C1 ZINC000585111917 398433062 /nfs/dbraw/zinc/43/30/62/398433062.db2.gz JATWFJBZUHQQIT-UHFFFAOYSA-N 1 2 313.401 2.680 40 0 DFABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)NC(C)C)nc2C1 ZINC000585111917 398433065 /nfs/dbraw/zinc/43/30/65/398433065.db2.gz JATWFJBZUHQQIT-UHFFFAOYSA-N 1 2 313.401 2.680 40 0 DFABLO CCC[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585112977 398433199 /nfs/dbraw/zinc/43/31/99/398433199.db2.gz XKXJRWWOTRIXBB-CHWSQXEVSA-N 1 2 305.422 2.561 40 0 DFABLO CCC[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585112977 398433201 /nfs/dbraw/zinc/43/32/01/398433201.db2.gz XKXJRWWOTRIXBB-CHWSQXEVSA-N 1 2 305.422 2.561 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000084012389 192395438 /nfs/dbraw/zinc/39/54/38/192395438.db2.gz PTIFGFLCSYJLDU-OAHLLOKOSA-N 1 2 305.809 2.955 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000084012389 192395440 /nfs/dbraw/zinc/39/54/40/192395440.db2.gz PTIFGFLCSYJLDU-OAHLLOKOSA-N 1 2 305.809 2.955 40 0 DFABLO COc1ccc([S@](=O)Cc2cn3ccccc3[nH+]2)cc1OC ZINC000083977916 192393030 /nfs/dbraw/zinc/39/30/30/192393030.db2.gz BWCYBHPVFFMAMU-QFIPXVFZSA-N 1 2 316.382 2.659 40 0 DFABLO Cc1cc(N2CCC[C@@H]2c2ccnc(-c3ccccn3)n2)nc[nH+]1 ZINC000072355854 191130577 /nfs/dbraw/zinc/13/05/77/191130577.db2.gz WMMCPUQJLILNIK-MRXNPFEDSA-N 1 2 318.384 2.979 40 0 DFABLO CNc1cccc([C@H]2CCCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000072368421 191138343 /nfs/dbraw/zinc/13/83/43/191138343.db2.gz OPOZITYPVVKPDR-NSHDSACASA-N 1 2 302.403 2.600 40 0 DFABLO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000080114133 192002774 /nfs/dbraw/zinc/00/27/74/192002774.db2.gz YECNCYLAMUGHKT-MEDUHNTESA-N 1 2 316.380 2.682 40 0 DFABLO O=S1(=O)CC[C@@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000078486082 398960346 /nfs/dbraw/zinc/96/03/46/398960346.db2.gz DNESVPMGVMIROH-GOSISDBHSA-N 1 2 315.438 2.876 40 0 DFABLO C[C@H]1CN(c2cc(CNc3ncccc3Cl)cc[nH+]2)CCO1 ZINC000195537914 201401931 /nfs/dbraw/zinc/40/19/31/201401931.db2.gz RKLXXYQVNOBHKY-LBPRGKRZSA-N 1 2 318.808 2.967 40 0 DFABLO CN(C(=O)c1ccsc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257275848 203003693 /nfs/dbraw/zinc/00/36/93/203003693.db2.gz NRFCXCCPQNIICZ-AWEZNQCLSA-N 1 2 301.415 2.884 40 0 DFABLO Cc1nc(-c2ncc[nH]2)cc(C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257295892 203020619 /nfs/dbraw/zinc/02/06/19/203020619.db2.gz RAIFXKCNEMYIGE-UHFFFAOYSA-N 1 2 320.400 2.954 40 0 DFABLO O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257303526 203026818 /nfs/dbraw/zinc/02/68/18/203026818.db2.gz SHPBPKJTTIKWSK-INIZCTEOSA-N 1 2 306.369 2.636 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3cncs3)CC2)cc[nH+]1 ZINC000257335439 203058273 /nfs/dbraw/zinc/05/82/73/203058273.db2.gz YKDOAGQWFGTLQC-UHFFFAOYSA-N 1 2 301.415 2.941 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257341981 203063819 /nfs/dbraw/zinc/06/38/19/203063819.db2.gz ZMPNDBGKEBYVCH-AWEZNQCLSA-N 1 2 319.430 2.595 40 0 DFABLO Clc1cc(N[C@H]2CCCOC2)ccc1C[NH+]1CCOCC1 ZINC000195560539 399186157 /nfs/dbraw/zinc/18/61/57/399186157.db2.gz YNDJXGQDSUGZND-HNNXBMFYSA-N 1 2 310.825 2.763 40 0 DFABLO CC(C)C(=O)N[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080975801 399198672 /nfs/dbraw/zinc/19/86/72/399198672.db2.gz AQKYAMZHZJMQOJ-LBPRGKRZSA-N 1 2 315.339 2.841 40 0 DFABLO C[C@@H](C(=O)N[C@@H](c1cccs1)c1ccncc1)n1cc[nH+]c1 ZINC000019079779 182103704 /nfs/dbraw/zinc/10/37/04/182103704.db2.gz LUUILBGADXEILX-SWLSCSKDSA-N 1 2 312.398 2.806 40 0 DFABLO O=C(Cn1cc[nH+]c1)Nc1nc(-c2ccccc2F)cs1 ZINC000019368437 182119747 /nfs/dbraw/zinc/11/97/47/182119747.db2.gz XJJOPEWRJWQVSA-UHFFFAOYSA-N 1 2 302.334 2.784 40 0 DFABLO COc1cccc(CN2CC[N@H+](Cc3ccccn3)[C@@H](C)C2)c1 ZINC000019575654 182131107 /nfs/dbraw/zinc/13/11/07/182131107.db2.gz LSDJMAJIABREFF-INIZCTEOSA-N 1 2 311.429 2.797 40 0 DFABLO COc1cccc(CN2CC[N@@H+](Cc3ccccn3)[C@@H](C)C2)c1 ZINC000019575654 182131108 /nfs/dbraw/zinc/13/11/08/182131108.db2.gz LSDJMAJIABREFF-INIZCTEOSA-N 1 2 311.429 2.797 40 0 DFABLO COc1ccc2cc(C)c(SCC[NH+]3CCOCC3)nc2c1 ZINC000020151161 182192542 /nfs/dbraw/zinc/19/25/42/182192542.db2.gz RTCRFQAMWAWAHH-UHFFFAOYSA-N 1 2 318.442 2.976 40 0 DFABLO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000084525403 542510456 /nfs/dbraw/zinc/51/04/56/542510456.db2.gz YTJFBJJHVLSTAS-RCCFBDPRSA-N 1 2 308.381 2.865 40 0 DFABLO Cn1c2c([nH+]c1C1CC1)CN(CCOc1cccc(F)c1)CC2 ZINC000084310865 542507661 /nfs/dbraw/zinc/50/76/61/542507661.db2.gz VVLOBPHERSNIMU-UHFFFAOYSA-N 1 2 315.392 2.874 40 0 DFABLO Cn1c2c(nc1C1CC1)C[N@H+](CCOc1cccc(F)c1)CC2 ZINC000084310865 542507664 /nfs/dbraw/zinc/50/76/64/542507664.db2.gz VVLOBPHERSNIMU-UHFFFAOYSA-N 1 2 315.392 2.874 40 0 DFABLO Cn1c2c(nc1C1CC1)C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000084310865 542507667 /nfs/dbraw/zinc/50/76/67/542507667.db2.gz VVLOBPHERSNIMU-UHFFFAOYSA-N 1 2 315.392 2.874 40 0 DFABLO CC(=O)N1CCN(c2ccc(SC(C)(C)C)c(C)[nH+]2)CC1 ZINC000072224790 257123713 /nfs/dbraw/zinc/12/37/13/257123713.db2.gz PEHIGKCGMMBSIC-UHFFFAOYSA-N 1 2 307.463 2.949 40 0 DFABLO COc1cccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000385909 425556949 /nfs/dbraw/zinc/55/69/49/425556949.db2.gz DNNAWPNIEHVNAU-AWEZNQCLSA-N 1 2 312.369 2.793 40 0 DFABLO Cc1cccc(Nc2ncc(F)c(N3CC[NH+](C)CC3)n2)c1C ZINC000000566644 425569869 /nfs/dbraw/zinc/56/98/69/425569869.db2.gz DDSAOSMUGQAPFI-UHFFFAOYSA-N 1 2 315.396 2.728 40 0 DFABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000012221720 425721075 /nfs/dbraw/zinc/72/10/75/425721075.db2.gz IWXVRLIFMOFPGU-SFHVURJKSA-N 1 2 321.380 2.574 40 0 DFABLO O=C(Nc1ccc(Cl)c(Cl)c1)OCC[NH+]1CCOCC1 ZINC000031723677 425836424 /nfs/dbraw/zinc/83/64/24/425836424.db2.gz QDHFATIPJHALFT-UHFFFAOYSA-N 1 2 319.188 2.874 40 0 DFABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(F)ccc1F ZINC000130216180 426151371 /nfs/dbraw/zinc/15/13/71/426151371.db2.gz FIAPAHSWKUELNC-ZDUSSCGKSA-N 1 2 317.339 2.759 40 0 DFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000079349330 426191605 /nfs/dbraw/zinc/19/16/05/426191605.db2.gz YKFDEQFOLPBXHC-WBVHZDCISA-N 1 2 302.422 2.804 40 0 DFABLO Ic1ccc(C[NH+]2CCSCC2)cc1 ZINC000079623429 426197992 /nfs/dbraw/zinc/19/79/92/426197992.db2.gz QISCCKFLSHMFSA-UHFFFAOYSA-N 1 2 319.211 2.840 40 0 DFABLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000084090872 426231509 /nfs/dbraw/zinc/23/15/09/426231509.db2.gz BCNAIMLASQAXKQ-JSGCOSHPSA-N 1 2 316.492 2.548 40 0 DFABLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)s1 ZINC000084090872 426231512 /nfs/dbraw/zinc/23/15/12/426231512.db2.gz BCNAIMLASQAXKQ-JSGCOSHPSA-N 1 2 316.492 2.548 40 0 DFABLO CC(C)(C)OC(=O)n1nc(C[NH+]2CCC2)c2ccc(N)cc21 ZINC000089195763 426283111 /nfs/dbraw/zinc/28/31/11/426283111.db2.gz VQFWWFZWWFTKIV-UHFFFAOYSA-N 1 2 302.378 2.607 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2nn(CC3CC3)cc21 ZINC000096060442 426395192 /nfs/dbraw/zinc/39/51/92/426395192.db2.gz GNSJPSOTGDVQOA-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2nn(CC3CC3)cc21 ZINC000096060442 426395194 /nfs/dbraw/zinc/39/51/94/426395194.db2.gz GNSJPSOTGDVQOA-HNNXBMFYSA-N 1 2 301.390 2.632 40 0 DFABLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)cs1 ZINC000096070485 426396940 /nfs/dbraw/zinc/39/69/40/426396940.db2.gz ISNFUTZCZNFNLF-VBNZEHGJSA-N 1 2 316.430 2.512 40 0 DFABLO Cc1nc(C[N@H+]2C[C@@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)cs1 ZINC000096070485 426396943 /nfs/dbraw/zinc/39/69/43/426396943.db2.gz ISNFUTZCZNFNLF-VBNZEHGJSA-N 1 2 316.430 2.512 40 0 DFABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccnc1 ZINC000225455536 426601623 /nfs/dbraw/zinc/60/16/23/426601623.db2.gz CAZJGMZNXBUUCR-UHFFFAOYSA-N 1 2 309.398 2.754 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000247884814 426965192 /nfs/dbraw/zinc/96/51/92/426965192.db2.gz CZJZKUGXZYIEOE-XIRDDKMYSA-N 1 2 314.385 2.733 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC000247884814 426965196 /nfs/dbraw/zinc/96/51/96/426965196.db2.gz CZJZKUGXZYIEOE-XIRDDKMYSA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)co1 ZINC000247956408 426968012 /nfs/dbraw/zinc/96/80/12/426968012.db2.gz OHLDQUFPOXYGOE-QGZVFWFLSA-N 1 2 314.385 2.625 40 0 DFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCC1CC1 ZINC000248121376 426980733 /nfs/dbraw/zinc/98/07/33/426980733.db2.gz DWKKIUHZPHKQCX-QGZVFWFLSA-N 1 2 317.429 2.713 40 0 DFABLO CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc[nH+]1 ZINC000328967249 427019215 /nfs/dbraw/zinc/01/92/15/427019215.db2.gz CSBMSRRQDMJPRT-UHFFFAOYSA-N 1 2 312.417 2.699 40 0 DFABLO CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]cn1 ZINC000328967249 427019221 /nfs/dbraw/zinc/01/92/21/427019221.db2.gz CSBMSRRQDMJPRT-UHFFFAOYSA-N 1 2 312.417 2.699 40 0 DFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1F ZINC000329057762 427033763 /nfs/dbraw/zinc/03/37/63/427033763.db2.gz VYNSXWDTBWCPPC-UHFFFAOYSA-N 1 2 314.364 2.663 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3cccs3)C2)[nH+]1 ZINC000257203105 427309169 /nfs/dbraw/zinc/30/91/69/427309169.db2.gz AOSHKUBYJWPZPX-ZDUSSCGKSA-N 1 2 303.431 2.739 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257211989 427314200 /nfs/dbraw/zinc/31/42/00/427314200.db2.gz CBLBNBVXMGQYKJ-MRXNPFEDSA-N 1 2 324.428 2.948 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3cscn3)CC2)cc[nH+]1 ZINC000257217419 427314275 /nfs/dbraw/zinc/31/42/75/427314275.db2.gz CYVVWYQOPULXLJ-UHFFFAOYSA-N 1 2 301.415 2.941 40 0 DFABLO Cc1nc(C[NH+]2CC3(C2)CO[C@H](Cc2ccc(F)cc2)C3)co1 ZINC000257232179 427317189 /nfs/dbraw/zinc/31/71/89/427317189.db2.gz GJSRFALDDNQIJD-QGZVFWFLSA-N 1 2 316.376 2.956 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)CCc2cccnc2)cc[nH+]1 ZINC000257223973 427317585 /nfs/dbraw/zinc/31/75/85/427317585.db2.gz DZSNYUQSWVNSPP-MRXNPFEDSA-N 1 2 310.401 2.815 40 0 DFABLO CN(C(=O)CCc1cccnc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257235544 427320592 /nfs/dbraw/zinc/32/05/92/427320592.db2.gz GYGBUQDRRVEKSX-KRWDZBQOSA-N 1 2 324.428 2.537 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257241911 427321860 /nfs/dbraw/zinc/32/18/60/427321860.db2.gz IAFDLFWLTPSEMO-ZDUSSCGKSA-N 1 2 318.446 2.740 40 0 DFABLO CC(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257258647 427326755 /nfs/dbraw/zinc/32/67/55/427326755.db2.gz KUXOYXFLLVDASP-HNNXBMFYSA-N 1 2 312.421 2.699 40 0 DFABLO CC(C)c1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257258647 427326759 /nfs/dbraw/zinc/32/67/59/427326759.db2.gz KUXOYXFLLVDASP-HNNXBMFYSA-N 1 2 312.421 2.699 40 0 DFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)cc[nH+]1 ZINC000257260634 427327107 /nfs/dbraw/zinc/32/71/07/427327107.db2.gz LDRRUAUEVKRKAV-HNNXBMFYSA-N 1 2 323.462 2.923 40 0 DFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2csc(C)n2)nc(C)n1 ZINC000257286652 427333532 /nfs/dbraw/zinc/33/35/32/427333532.db2.gz PMKSALHEOZLENT-CQSZACIVSA-N 1 2 303.435 2.929 40 0 DFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2csc(C)n2)nc(C)n1 ZINC000257286652 427333537 /nfs/dbraw/zinc/33/35/37/427333537.db2.gz PMKSALHEOZLENT-CQSZACIVSA-N 1 2 303.435 2.929 40 0 DFABLO CNc1cc([C@H]2CCCN2Cc2csc(C)n2)[nH+]c(C)n1 ZINC000257286652 427333540 /nfs/dbraw/zinc/33/35/40/427333540.db2.gz PMKSALHEOZLENT-CQSZACIVSA-N 1 2 303.435 2.929 40 0 DFABLO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2noc(C3CC3)n2)cc1F ZINC000192133415 427486443 /nfs/dbraw/zinc/48/64/43/427486443.db2.gz ZOIOJVDSZDBOEX-DZGCQCFKSA-N 1 2 321.327 2.845 40 0 DFABLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ncc(-c2ccccc2)o1 ZINC000193322987 323253326 /nfs/dbraw/zinc/25/33/26/323253326.db2.gz DFHVHLFUXODTDR-LBPRGKRZSA-N 1 2 310.357 2.875 40 0 DFABLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ncc(-c2ccccc2)o1 ZINC000193322987 323253330 /nfs/dbraw/zinc/25/33/30/323253330.db2.gz DFHVHLFUXODTDR-LBPRGKRZSA-N 1 2 310.357 2.875 40 0 DFABLO Cc1cc(F)cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193608091 323256608 /nfs/dbraw/zinc/25/66/08/323256608.db2.gz HZDBASHCTSIDFM-MRXNPFEDSA-N 1 2 306.381 2.716 40 0 DFABLO Cc1cc(F)cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193608091 323256610 /nfs/dbraw/zinc/25/66/10/323256610.db2.gz HZDBASHCTSIDFM-MRXNPFEDSA-N 1 2 306.381 2.716 40 0 DFABLO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000081801488 192326656 /nfs/dbraw/zinc/32/66/56/192326656.db2.gz AXQHKNMTEJEARD-LLVKDONJSA-N 1 2 321.812 2.516 40 0 DFABLO Cc1cc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc[nH+]1 ZINC000079001772 185144667 /nfs/dbraw/zinc/14/46/67/185144667.db2.gz YJUFIMCPHBTSSE-CQSZACIVSA-N 1 2 313.357 2.616 40 0 DFABLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000082169587 185174548 /nfs/dbraw/zinc/17/45/48/185174548.db2.gz CEDVAXOUBFPERN-CVEARBPZSA-N 1 2 318.417 2.507 40 0 DFABLO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000082169587 185174549 /nfs/dbraw/zinc/17/45/49/185174549.db2.gz CEDVAXOUBFPERN-CVEARBPZSA-N 1 2 318.417 2.507 40 0 DFABLO CC(=O)N1CCC[C@H](Cc2ccc(-c3c[nH+]c(C)n3C)nc2)C1 ZINC000585260985 398437669 /nfs/dbraw/zinc/43/76/69/398437669.db2.gz CEIXFMTVFQDVOQ-MRXNPFEDSA-N 1 2 312.417 2.592 40 0 DFABLO CC(C)[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585112041 398432903 /nfs/dbraw/zinc/43/29/03/398432903.db2.gz KKBWJCQGCLMYFD-CHWSQXEVSA-N 1 2 305.422 2.559 40 0 DFABLO CC(C)[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585112041 398432904 /nfs/dbraw/zinc/43/29/04/398432904.db2.gz KKBWJCQGCLMYFD-CHWSQXEVSA-N 1 2 305.422 2.559 40 0 DFABLO COc1nc(C[NH2+]Cc2nncn2-c2ccccc2)c(C)cc1C ZINC000585140646 398436036 /nfs/dbraw/zinc/43/60/36/398436036.db2.gz HWVULIXJCNKHJV-UHFFFAOYSA-N 1 2 323.400 2.578 40 0 DFABLO Cc1c(CNC(=O)NCCn2cc[nH+]c2)oc2ccc(F)cc12 ZINC000194279748 186276294 /nfs/dbraw/zinc/27/62/94/186276294.db2.gz OMZFIINDUVDAPA-UHFFFAOYSA-N 1 2 316.336 2.576 40 0 DFABLO CCc1cccc(C)c1N(C(=O)Cn1cc[nH+]c1)[C@H](C)COC ZINC000004385928 181106223 /nfs/dbraw/zinc/10/62/23/181106223.db2.gz LBLKUISBPIXDTP-OAHLLOKOSA-N 1 2 315.417 2.822 40 0 DFABLO Cc1ccc(S[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000047081036 398735943 /nfs/dbraw/zinc/73/59/43/398735943.db2.gz VMAFEHDNZWMJSJ-CQSZACIVSA-N 1 2 303.431 2.879 40 0 DFABLO CCCC(=O)N[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000080976694 192208116 /nfs/dbraw/zinc/20/81/16/192208116.db2.gz XYQPZXBWIPIWOJ-GFCCVEGCSA-N 1 2 315.339 2.986 40 0 DFABLO Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CC=CC[C@H]4C3)cn21 ZINC000078942321 399000284 /nfs/dbraw/zinc/00/02/84/399000284.db2.gz JRFWPGSNYIUHKA-GJZGRUSLSA-N 1 2 310.401 2.750 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)[nH+]1 ZINC000257295895 203020917 /nfs/dbraw/zinc/02/09/17/203020917.db2.gz RAIIXENETHPHGX-CYBMUJFWSA-N 1 2 316.405 2.778 40 0 DFABLO CN(C(=O)c1cccs1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257299474 203023230 /nfs/dbraw/zinc/02/32/30/203023230.db2.gz RQFDKGOJMNFPSF-CYBMUJFWSA-N 1 2 301.415 2.884 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257327968 203051215 /nfs/dbraw/zinc/05/12/15/203051215.db2.gz XDOURLMWYXYXJH-OAHLLOKOSA-N 1 2 320.396 2.906 40 0 DFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000257312302 203037210 /nfs/dbraw/zinc/03/72/10/203037210.db2.gz UNHWCRFTFFQCOZ-HNNXBMFYSA-N 1 2 317.414 2.649 40 0 DFABLO CCc1noc(C)c1C(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257314223 203039548 /nfs/dbraw/zinc/03/95/48/203039548.db2.gz UVWWRGBBFIKELS-LBPRGKRZSA-N 1 2 302.378 2.597 40 0 DFABLO COc1ccc2sc(NC(=O)CCCn3cc[nH+]c3)nc2c1 ZINC000019563719 182130400 /nfs/dbraw/zinc/13/04/00/182130400.db2.gz XBZIGNBACOPKET-UHFFFAOYSA-N 1 2 316.386 2.920 40 0 DFABLO Cn1cc(-c2ccc([C@@H]3CCC[N@@H+]3Cc3ncc[nH]3)nc2)cn1 ZINC000019688807 182136851 /nfs/dbraw/zinc/13/68/51/182136851.db2.gz UZTAJDHCWKPPHA-INIZCTEOSA-N 1 2 308.389 2.542 40 0 DFABLO Cn1cc(-c2ccc([C@@H]3CCC[N@H+]3Cc3ncc[nH]3)nc2)cn1 ZINC000019688807 182136852 /nfs/dbraw/zinc/13/68/52/182136852.db2.gz UZTAJDHCWKPPHA-INIZCTEOSA-N 1 2 308.389 2.542 40 0 DFABLO COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020107575 182187688 /nfs/dbraw/zinc/18/76/88/182187688.db2.gz YVMMALBXNKSWFW-UHFFFAOYSA-N 1 2 307.353 2.811 40 0 DFABLO Cc1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022509209 182324169 /nfs/dbraw/zinc/32/41/69/182324169.db2.gz QVLPTSMEUSWEGH-UHFFFAOYSA-N 1 2 321.380 2.876 40 0 DFABLO C[C@@H](C(=O)NCCn1cccc1)n1cc[nH+]c1-c1ccccc1 ZINC000083967519 542504500 /nfs/dbraw/zinc/50/45/00/542504500.db2.gz IESMPBDLVZBUFQ-HNNXBMFYSA-N 1 2 308.385 2.729 40 0 DFABLO Cc1[nH]ncc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000084028321 542505197 /nfs/dbraw/zinc/50/51/97/542505197.db2.gz XOQNVGPBWIHJHT-UHFFFAOYSA-N 1 2 314.433 2.535 40 0 DFABLO CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000408677335 257228712 /nfs/dbraw/zinc/22/87/12/257228712.db2.gz CQUYGQUONZPQGW-INIZCTEOSA-N 1 2 301.390 2.555 40 0 DFABLO CSc1ccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)cc1 ZINC000408724318 257215457 /nfs/dbraw/zinc/21/54/57/257215457.db2.gz AYSKORZTCHGLGP-XYOKQWHBSA-N 1 2 308.428 2.964 40 0 DFABLO CCc1[nH]c2ccc(NC(=O)c3cnc(SC)nc3)cc2[nH+]1 ZINC000012116930 425717898 /nfs/dbraw/zinc/71/78/98/425717898.db2.gz TUIOABBIELSFLZ-UHFFFAOYSA-N 1 2 313.386 2.890 40 0 DFABLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000036802826 425846687 /nfs/dbraw/zinc/84/66/87/425846687.db2.gz KVFJQGUOLLWFDD-GRUGELQESA-N 1 2 320.477 2.569 40 0 DFABLO [NH3+]Nc1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2 ZINC000038367317 425850803 /nfs/dbraw/zinc/85/08/03/425850803.db2.gz FWODBAGENPLYQT-UHFFFAOYSA-N 1 2 302.341 2.973 40 0 DFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000072336784 426016007 /nfs/dbraw/zinc/01/60/07/426016007.db2.gz HJTKKVNHNFIRBI-UHFFFAOYSA-N 1 2 324.409 2.864 40 0 DFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000072336784 426016011 /nfs/dbraw/zinc/01/60/11/426016011.db2.gz HJTKKVNHNFIRBI-UHFFFAOYSA-N 1 2 324.409 2.864 40 0 DFABLO Cc1cccc(C(=O)N2CCN(CC3CC3)c3[nH+]cccc3C2)n1 ZINC000096060981 426394991 /nfs/dbraw/zinc/39/49/91/426394991.db2.gz XIQSZLBWRRJDIA-UHFFFAOYSA-N 1 2 322.412 2.657 40 0 DFABLO CCOC[C@H]1C[N@H+](Cc2c(C)noc2C)Cc2cn(CC)nc21 ZINC000096198084 426406075 /nfs/dbraw/zinc/40/60/75/426406075.db2.gz KMCZJGDSROVHPF-OAHLLOKOSA-N 1 2 318.421 2.644 40 0 DFABLO CCOC[C@H]1C[N@@H+](Cc2c(C)noc2C)Cc2cn(CC)nc21 ZINC000096198084 426406077 /nfs/dbraw/zinc/40/60/77/426406077.db2.gz KMCZJGDSROVHPF-OAHLLOKOSA-N 1 2 318.421 2.644 40 0 DFABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)no1 ZINC000096046273 426391381 /nfs/dbraw/zinc/39/13/81/426391381.db2.gz VSULSUYAFJRQMP-FPMFFAJLSA-N 1 2 305.403 2.792 40 0 DFABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)no1 ZINC000096046273 426391385 /nfs/dbraw/zinc/39/13/85/426391385.db2.gz VSULSUYAFJRQMP-FPMFFAJLSA-N 1 2 305.403 2.792 40 0 DFABLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3csc(C)n3)O2)n1 ZINC000096041072 426391673 /nfs/dbraw/zinc/39/16/73/426391673.db2.gz PVRDNAPZEMFTHP-MGPQQGTHSA-N 1 2 320.418 2.638 40 0 DFABLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3csc(C)n3)O2)n1 ZINC000096041072 426391674 /nfs/dbraw/zinc/39/16/74/426391674.db2.gz PVRDNAPZEMFTHP-MGPQQGTHSA-N 1 2 320.418 2.638 40 0 DFABLO c1csc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096057966 426392857 /nfs/dbraw/zinc/39/28/57/426392857.db2.gz DKVWEQRQDAJYES-GVDBMIGSSA-N 1 2 316.426 2.954 40 0 DFABLO c1csc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC000096057966 426392859 /nfs/dbraw/zinc/39/28/59/426392859.db2.gz DKVWEQRQDAJYES-GVDBMIGSSA-N 1 2 316.426 2.954 40 0 DFABLO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096059852 426393976 /nfs/dbraw/zinc/39/39/76/426393976.db2.gz JQRIPIPBGRXKSH-HNNXBMFYSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096059852 426393978 /nfs/dbraw/zinc/39/39/78/426393978.db2.gz JQRIPIPBGRXKSH-HNNXBMFYSA-N 1 2 301.390 2.539 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306136269 426914170 /nfs/dbraw/zinc/91/41/70/426914170.db2.gz POJQZIQUVIWQTO-UKRRQHHQSA-N 1 2 305.424 2.503 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306136269 426914177 /nfs/dbraw/zinc/91/41/77/426914177.db2.gz POJQZIQUVIWQTO-UKRRQHHQSA-N 1 2 305.424 2.503 40 0 DFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCC1CC1)CS2 ZINC000247832697 426963173 /nfs/dbraw/zinc/96/31/73/426963173.db2.gz HXPFMQVNGJKDBB-HNNXBMFYSA-N 1 2 320.458 2.577 40 0 DFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC1CC1)CCO2 ZINC000248149525 426982827 /nfs/dbraw/zinc/98/28/27/426982827.db2.gz VDXZBHIMKHANHR-KRWDZBQOSA-N 1 2 317.429 2.855 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257207755 427309807 /nfs/dbraw/zinc/30/98/07/427309807.db2.gz BJBRHEUCZAMYPM-CQSZACIVSA-N 1 2 301.365 2.806 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257210226 427310055 /nfs/dbraw/zinc/31/00/55/427310055.db2.gz BTRRBVGMVKONRX-LBPRGKRZSA-N 1 2 314.389 2.572 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257210225 427311409 /nfs/dbraw/zinc/31/14/09/427311409.db2.gz BTRRBVGMVKONRX-GFCCVEGCSA-N 1 2 314.389 2.572 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257215412 427312579 /nfs/dbraw/zinc/31/25/79/427312579.db2.gz CPZPKWMORWYJQJ-AWEZNQCLSA-N 1 2 305.328 2.984 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257223086 427317275 /nfs/dbraw/zinc/31/72/75/427317275.db2.gz DVUUETCWQDWRNX-ZDUSSCGKSA-N 1 2 309.373 2.533 40 0 DFABLO Cc1cc(N2CCC[C@@H]2c2cn3cccc3c(N(C)C)n2)nc[nH+]1 ZINC000257223564 427318526 /nfs/dbraw/zinc/31/85/26/427318526.db2.gz DXYHSLLPYUTIFW-OAHLLOKOSA-N 1 2 322.416 2.840 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)[nH+]1 ZINC000257242650 427321639 /nfs/dbraw/zinc/32/16/39/427321639.db2.gz IDMHANLZMUETCT-LBPRGKRZSA-N 1 2 317.393 2.521 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)cc[nH+]1 ZINC000257241225 427322086 /nfs/dbraw/zinc/32/20/86/427322086.db2.gz HXFAQFMDGJQJOH-CQSZACIVSA-N 1 2 316.430 2.794 40 0 DFABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257259601 427327044 /nfs/dbraw/zinc/32/70/44/427327044.db2.gz KZBQKTVKHYHJLJ-HNNXBMFYSA-N 1 2 321.388 2.615 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257265859 427327511 /nfs/dbraw/zinc/32/75/11/427327511.db2.gz MAQXFYPFOFRQKG-AWEZNQCLSA-N 1 2 309.373 2.582 40 0 DFABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cccc(OCCO)c1 ZINC000257261835 427328190 /nfs/dbraw/zinc/32/81/90/427328190.db2.gz LIYQHNIFOBLGCW-QGZVFWFLSA-N 1 2 315.417 2.816 40 0 DFABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cccc(OCCO)c1 ZINC000257261835 427328197 /nfs/dbraw/zinc/32/81/97/427328197.db2.gz LIYQHNIFOBLGCW-QGZVFWFLSA-N 1 2 315.417 2.816 40 0 DFABLO CC(C)n1nccc1C(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257270001 427330510 /nfs/dbraw/zinc/33/05/10/427330510.db2.gz MSJDIMLTRZFSPC-QGZVFWFLSA-N 1 2 312.417 2.593 40 0 DFABLO CC(C)n1nccc1C(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257270001 427330515 /nfs/dbraw/zinc/33/05/15/427330515.db2.gz MSJDIMLTRZFSPC-QGZVFWFLSA-N 1 2 312.417 2.593 40 0 DFABLO CCc1nnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192136557 427490318 /nfs/dbraw/zinc/49/03/18/427490318.db2.gz IWZAXAVWJKYZNO-IUODEOHRSA-N 1 2 309.316 2.530 40 0 DFABLO C[C@@]1(O)CC[N@H+](Cc2nccs2)C[C@H]1Oc1ccccc1 ZINC000257238654 278129187 /nfs/dbraw/zinc/12/91/87/278129187.db2.gz HLYDQBHZOKCUPP-GDBMZVCRSA-N 1 2 304.415 2.547 40 0 DFABLO C[C@@]1(O)CC[N@@H+](Cc2nccs2)C[C@H]1Oc1ccccc1 ZINC000257238654 278129188 /nfs/dbraw/zinc/12/91/88/278129188.db2.gz HLYDQBHZOKCUPP-GDBMZVCRSA-N 1 2 304.415 2.547 40 0 DFABLO C[C@@H](CO)Nc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000329002860 534128763 /nfs/dbraw/zinc/12/87/63/534128763.db2.gz KKFUSOZXLQOEJV-AWEZNQCLSA-N 1 2 320.396 2.524 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306136268 534878166 /nfs/dbraw/zinc/87/81/66/534878166.db2.gz POJQZIQUVIWQTO-HIFRSBDPSA-N 1 2 305.424 2.503 40 0 DFABLO O=S1(=O)c2ccccc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306136268 534878167 /nfs/dbraw/zinc/87/81/67/534878167.db2.gz POJQZIQUVIWQTO-HIFRSBDPSA-N 1 2 305.424 2.503 40 0 DFABLO Cc1cc(N)nc(SCCN2CCCc3ccccc32)[nH+]1 ZINC000079094966 185157826 /nfs/dbraw/zinc/15/78/26/185157826.db2.gz SIDMAAVOUNTKHZ-UHFFFAOYSA-N 1 2 300.431 2.912 40 0 DFABLO CO[C@@H]1CC[N@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275184 398437967 /nfs/dbraw/zinc/43/79/67/398437967.db2.gz ZHLZCQRKQPBSJU-CRAIPNDOSA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@@H]1CC[N@@H+](Cc2cn[nH]c2C)C[C@H]1Cc1ccccc1F ZINC000585275184 398437970 /nfs/dbraw/zinc/43/79/70/398437970.db2.gz ZHLZCQRKQPBSJU-CRAIPNDOSA-N 1 2 317.408 2.937 40 0 DFABLO CO[C@]1(COc2ccccc2C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274368 398438770 /nfs/dbraw/zinc/43/87/70/398438770.db2.gz JXMZGMLLONDSTF-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@]1(COc2ccccc2C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274368 398438772 /nfs/dbraw/zinc/43/87/72/398438772.db2.gz JXMZGMLLONDSTF-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585274369 398438798 /nfs/dbraw/zinc/43/87/98/398438798.db2.gz JXMZGMLLONDSTF-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@@]1(COc2ccccc2C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585274369 398438800 /nfs/dbraw/zinc/43/88/00/398438800.db2.gz JXMZGMLLONDSTF-SFHVURJKSA-N 1 2 315.417 2.778 40 0 DFABLO c1csc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)c1 ZINC000585104400 398433110 /nfs/dbraw/zinc/43/31/10/398433110.db2.gz HXFVIOOUIDBFQF-CQSZACIVSA-N 1 2 316.426 2.956 40 0 DFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)o1 ZINC000585104289 398433562 /nfs/dbraw/zinc/43/35/62/398433562.db2.gz GRQVLFMJGNEJPE-HNNXBMFYSA-N 1 2 314.385 2.795 40 0 DFABLO CC(=O)N1CCC[C@H](Cc2ccnc(-c3c[nH+]c(C)n3C)c2)C1 ZINC000585260989 398437267 /nfs/dbraw/zinc/43/72/67/398437267.db2.gz HOIXFMXECSUJSX-MRXNPFEDSA-N 1 2 312.417 2.592 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072360153 191132363 /nfs/dbraw/zinc/13/23/63/191132363.db2.gz GLHHNGFGKCNGBW-LBPRGKRZSA-N 1 2 304.423 2.925 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072360153 191132365 /nfs/dbraw/zinc/13/23/65/191132365.db2.gz GLHHNGFGKCNGBW-LBPRGKRZSA-N 1 2 304.423 2.925 40 0 DFABLO Cc1nc(CN(CC[NH+]2CCOCC2)c2ccccc2)oc1C ZINC000081017871 192215000 /nfs/dbraw/zinc/21/50/00/192215000.db2.gz XQZHKKIIOOUNJE-UHFFFAOYSA-N 1 2 315.417 2.630 40 0 DFABLO O=S1(=O)CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000078486084 398960521 /nfs/dbraw/zinc/96/05/21/398960521.db2.gz DNESVPMGVMIROH-SFHVURJKSA-N 1 2 315.438 2.876 40 0 DFABLO OC1(c2ccccc2Cl)CC[NH+](Cc2cncnc2)CC1 ZINC000194949102 201314657 /nfs/dbraw/zinc/31/46/57/201314657.db2.gz IGLVBFQOETYCRR-UHFFFAOYSA-N 1 2 303.793 2.614 40 0 DFABLO c1c[nH]c(-c2cncc(CC3CCN(c4cccc[nH+]4)CC3)n2)n1 ZINC000257252302 202984475 /nfs/dbraw/zinc/98/44/75/202984475.db2.gz JUGZZFZPWSZERW-UHFFFAOYSA-N 1 2 320.400 2.721 40 0 DFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)nc(C)n1 ZINC000257299504 203024389 /nfs/dbraw/zinc/02/43/89/203024389.db2.gz RQIZUDUFUWXQSR-HNNXBMFYSA-N 1 2 301.369 2.698 40 0 DFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)nc(C)n1 ZINC000257299504 203024392 /nfs/dbraw/zinc/02/43/92/203024392.db2.gz RQIZUDUFUWXQSR-HNNXBMFYSA-N 1 2 301.369 2.698 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257302669 203027564 /nfs/dbraw/zinc/02/75/64/203027564.db2.gz SDUMYMCIQFLHJS-INIZCTEOSA-N 1 2 323.400 2.682 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257302669 203027567 /nfs/dbraw/zinc/02/75/67/203027567.db2.gz SDUMYMCIQFLHJS-INIZCTEOSA-N 1 2 323.400 2.682 40 0 DFABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000257307272 203031934 /nfs/dbraw/zinc/03/19/34/203031934.db2.gz SXYUKAYFHORKHL-GOSISDBHSA-N 1 2 311.385 2.614 40 0 DFABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000257307272 203031938 /nfs/dbraw/zinc/03/19/38/203031938.db2.gz SXYUKAYFHORKHL-GOSISDBHSA-N 1 2 311.385 2.614 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc[nH+]1 ZINC000257309616 203034596 /nfs/dbraw/zinc/03/45/96/203034596.db2.gz UBQNPAYJDDOVMS-UHFFFAOYSA-N 1 2 311.385 2.586 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cncs2)[C@@H](c2ccccc2)C1 ZINC000257281548 203010882 /nfs/dbraw/zinc/01/08/82/203010882.db2.gz OPSLOUYZPXIYAS-MRXNPFEDSA-N 1 2 301.415 2.549 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cncs2)[C@@H](c2ccccc2)C1 ZINC000257281548 203010884 /nfs/dbraw/zinc/01/08/84/203010884.db2.gz OPSLOUYZPXIYAS-MRXNPFEDSA-N 1 2 301.415 2.549 40 0 DFABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cccn3C)C2)cc[nH+]1 ZINC000257285567 203012418 /nfs/dbraw/zinc/01/24/18/203012418.db2.gz PHUJLIZLCYNHKV-HNNXBMFYSA-N 1 2 312.417 2.506 40 0 DFABLO Cc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)o1 ZINC000096062043 193513281 /nfs/dbraw/zinc/51/32/81/193513281.db2.gz QMECWGADIMTITE-CQSZACIVSA-N 1 2 311.389 2.606 40 0 DFABLO CCC1(CC)C[N@H+](Cc2ccc(O)c(OC)c2)CC[S@@]1=O ZINC000194995000 399183195 /nfs/dbraw/zinc/18/31/95/399183195.db2.gz KBSHVPWXRGXQBX-NRFANRHFSA-N 1 2 311.447 2.524 40 0 DFABLO CCC1(CC)C[N@@H+](Cc2ccc(O)c(OC)c2)CC[S@@]1=O ZINC000194995000 399183203 /nfs/dbraw/zinc/18/32/03/399183203.db2.gz KBSHVPWXRGXQBX-NRFANRHFSA-N 1 2 311.447 2.524 40 0 DFABLO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)no1 ZINC000195570319 399187973 /nfs/dbraw/zinc/18/79/73/399187973.db2.gz RWBYFJMBXHWAMN-HZPDHXFCSA-N 1 2 301.390 2.996 40 0 DFABLO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2OCc2ccccc2)no1 ZINC000195570316 399188033 /nfs/dbraw/zinc/18/80/33/399188033.db2.gz RWBYFJMBXHWAMN-HOTGVXAUSA-N 1 2 301.390 2.996 40 0 DFABLO Cc1ccc([C@H](NC(=O)Cn2cc[nH+]c2)c2ccncc2)cc1C ZINC000019213583 182107289 /nfs/dbraw/zinc/10/72/89/182107289.db2.gz PIMJVTKHJPAYGC-LJQANCHMSA-N 1 2 320.396 2.801 40 0 DFABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000019932990 182166888 /nfs/dbraw/zinc/16/68/88/182166888.db2.gz MXZSCJOFNITPNL-INIZCTEOSA-N 1 2 315.417 2.782 40 0 DFABLO CC[C@H](Oc1ccccc1Cl)C(=O)NCCCn1cc[nH+]c1 ZINC000020451824 182218499 /nfs/dbraw/zinc/21/84/99/182218499.db2.gz XDJZSVPFVRXLLF-AWEZNQCLSA-N 1 2 321.808 2.900 40 0 DFABLO CCOC(=O)c1ccc2[nH+]cc(C(=O)OCC)c(NC)c2c1 ZINC000040175697 183044310 /nfs/dbraw/zinc/04/43/10/183044310.db2.gz JRQHMNHZNYBPTL-UHFFFAOYSA-N 1 2 302.330 2.630 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306141122 285074575 /nfs/dbraw/zinc/07/45/75/285074575.db2.gz VLSWPVMNBIPRDR-RDJZCZTQSA-N 1 2 317.385 2.581 40 0 DFABLO O=S1(=O)c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306141122 285074576 /nfs/dbraw/zinc/07/45/76/285074576.db2.gz VLSWPVMNBIPRDR-RDJZCZTQSA-N 1 2 317.385 2.581 40 0 DFABLO COc1ccc(F)cc1C[S@@](=O)Cc1cn2ccccc2[nH+]1 ZINC000083944755 542504627 /nfs/dbraw/zinc/50/46/27/542504627.db2.gz XCZIGRXJAQMHEF-QFIPXVFZSA-N 1 2 318.373 2.931 40 0 DFABLO COc1cccc(NCc2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534868 257136881 /nfs/dbraw/zinc/13/68/81/257136881.db2.gz RGUJNCPJRGRMAA-MRXNPFEDSA-N 1 2 323.400 2.668 40 0 DFABLO COc1cccc(NCc2nc([C@H]([NH3+])Cc3ccccc3)n[nH]2)c1 ZINC000095534868 257136882 /nfs/dbraw/zinc/13/68/82/257136882.db2.gz RGUJNCPJRGRMAA-MRXNPFEDSA-N 1 2 323.400 2.668 40 0 DFABLO O=C(NCC1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224345565 257232984 /nfs/dbraw/zinc/23/29/84/257232984.db2.gz PGSYDJVEQHYVNU-UHFFFAOYSA-N 1 2 316.445 2.829 40 0 DFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccccc1)C2 ZINC000012666957 425734781 /nfs/dbraw/zinc/73/47/81/425734781.db2.gz USQQEMDUIFXRFD-UHFFFAOYSA-N 1 2 320.396 2.871 40 0 DFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccccc1)C2 ZINC000012666957 425734784 /nfs/dbraw/zinc/73/47/84/425734784.db2.gz USQQEMDUIFXRFD-UHFFFAOYSA-N 1 2 320.396 2.871 40 0 DFABLO O=C(CSc1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000045052548 425859527 /nfs/dbraw/zinc/85/95/27/425859527.db2.gz MIYMOIJNFFXEEY-UHFFFAOYSA-N 1 2 309.822 2.835 40 0 DFABLO Cc1cc(N2CC[C@H](OCc3ccccn3)C2)nc(C2CC2)[nH+]1 ZINC000084114417 426233381 /nfs/dbraw/zinc/23/33/81/426233381.db2.gz KWTURMWDBQYOHE-INIZCTEOSA-N 1 2 310.401 2.853 40 0 DFABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)o1 ZINC000096060237 426393995 /nfs/dbraw/zinc/39/39/95/426393995.db2.gz PYTUJQIHZIFDLB-OAHLLOKOSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)o1 ZINC000096060237 426393999 /nfs/dbraw/zinc/39/39/99/426393999.db2.gz PYTUJQIHZIFDLB-OAHLLOKOSA-N 1 2 315.417 2.848 40 0 DFABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3[C@@H](COCC3CC3)C2)o1 ZINC000096060237 426394001 /nfs/dbraw/zinc/39/40/01/426394001.db2.gz PYTUJQIHZIFDLB-OAHLLOKOSA-N 1 2 315.417 2.848 40 0 DFABLO c1coc(CN2Cc3[nH+]ccn3C[C@H](COc3cccnc3)C2)c1 ZINC000096187943 426405306 /nfs/dbraw/zinc/40/53/06/426405306.db2.gz DGAFXMZGKZBECO-OAHLLOKOSA-N 1 2 324.384 2.582 40 0 DFABLO C(OC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1C1CCC1)C1CC1 ZINC000096045414 426390426 /nfs/dbraw/zinc/39/04/26/426390426.db2.gz FYHCPYXYYVHRRO-KRWDZBQOSA-N 1 2 316.449 2.566 40 0 DFABLO C(OC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1C1CCC1)C1CC1 ZINC000096045414 426390430 /nfs/dbraw/zinc/39/04/30/426390430.db2.gz FYHCPYXYYVHRRO-KRWDZBQOSA-N 1 2 316.449 2.566 40 0 DFABLO COC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2[nH+]cn(C)c21 ZINC000096044782 426391584 /nfs/dbraw/zinc/39/15/84/426391584.db2.gz GCBWJVJDJVMFHE-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)Cc2ncn(C)c21 ZINC000096044782 426391585 /nfs/dbraw/zinc/39/15/85/426391585.db2.gz GCBWJVJDJVMFHE-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)Cc2ncn(C)c21 ZINC000096044782 426391587 /nfs/dbraw/zinc/39/15/87/426391587.db2.gz GCBWJVJDJVMFHE-ZDUSSCGKSA-N 1 2 305.809 2.819 40 0 DFABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)ccc1Cl ZINC000328968532 427018539 /nfs/dbraw/zinc/01/85/39/427018539.db2.gz DAMIDJHRVVFOKF-UHFFFAOYSA-N 1 2 318.808 3.464 40 0 DFABLO CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000329007200 427023406 /nfs/dbraw/zinc/02/34/06/427023406.db2.gz LIRIHKLBZKSFRV-UHFFFAOYSA-N 1 2 320.352 2.501 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257205426 427311148 /nfs/dbraw/zinc/31/11/48/427311148.db2.gz AYZDIBYVZVICFM-AWEZNQCLSA-N 1 2 323.400 2.543 40 0 DFABLO Cc1ncoc1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257213026 427314185 /nfs/dbraw/zinc/31/41/85/427314185.db2.gz CFXBDIQDWOYMIL-AWEZNQCLSA-N 1 2 308.341 2.577 40 0 DFABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)cc(N(C)C)n1 ZINC000257213504 427314504 /nfs/dbraw/zinc/31/45/04/427314504.db2.gz CHVNAEYIFUZYPT-INIZCTEOSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)cc(N(C)C)n1 ZINC000257213504 427314509 /nfs/dbraw/zinc/31/45/09/427314509.db2.gz CHVNAEYIFUZYPT-INIZCTEOSA-N 1 2 315.396 2.722 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3cnc(C)nc3C)CC2)cc[nH+]1 ZINC000257236068 427321454 /nfs/dbraw/zinc/32/14/54/427321454.db2.gz HAQPMIOJUUIJSG-UHFFFAOYSA-N 1 2 324.428 2.892 40 0 DFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)on1 ZINC000257237783 427322225 /nfs/dbraw/zinc/32/22/25/427322225.db2.gz HIELAXDDDRBDRS-HNNXBMFYSA-N 1 2 322.368 2.831 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257248825 427325810 /nfs/dbraw/zinc/32/58/10/427325810.db2.gz JFJWDULJRDPUOZ-ZDUSSCGKSA-N 1 2 319.355 2.945 40 0 DFABLO C[C@]1(O)C[N@H+](Cc2cscn2)CC[C@@H]1Oc1ccccc1 ZINC000257290901 427331074 /nfs/dbraw/zinc/33/10/74/427331074.db2.gz QETSTTRMVPZPRX-HOTGVXAUSA-N 1 2 304.415 2.547 40 0 DFABLO C[C@]1(O)C[N@@H+](Cc2cscn2)CC[C@@H]1Oc1ccccc1 ZINC000257290901 427331082 /nfs/dbraw/zinc/33/10/82/427331082.db2.gz QETSTTRMVPZPRX-HOTGVXAUSA-N 1 2 304.415 2.547 40 0 DFABLO CCc1[nH+]ccn1[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192577673 427565349 /nfs/dbraw/zinc/56/53/49/427565349.db2.gz HOPJZPWRIFIZAS-KBPBESRZSA-N 1 2 315.421 2.648 40 0 DFABLO COc1ccc(F)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000193137641 427672910 /nfs/dbraw/zinc/67/29/10/427672910.db2.gz LDMBLWVZUQIVCO-UHFFFAOYSA-N 1 2 315.392 2.547 40 0 DFABLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000193137641 427672914 /nfs/dbraw/zinc/67/29/14/427672914.db2.gz LDMBLWVZUQIVCO-UHFFFAOYSA-N 1 2 315.392 2.547 40 0 DFABLO CC(C)c1[nH+]ccn1-c1ccc2c(c1)S(=O)(=O)N=C(Cl)N2 ZINC000095096734 275763750 /nfs/dbraw/zinc/76/37/50/275763750.db2.gz UGBLRFDWSMSOMY-UHFFFAOYSA-N 1 2 324.793 2.705 40 0 DFABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCCCCC1 ZINC000020238777 333317214 /nfs/dbraw/zinc/31/72/14/333317214.db2.gz UOCGZVXSEBPZLV-UHFFFAOYSA-N 1 2 302.418 2.535 40 0 DFABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000328973216 534136032 /nfs/dbraw/zinc/13/60/32/534136032.db2.gz FAPQZCXQICEFKK-ZDUSSCGKSA-N 1 2 312.417 2.567 40 0 DFABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000328973216 534136043 /nfs/dbraw/zinc/13/60/43/534136043.db2.gz FAPQZCXQICEFKK-ZDUSSCGKSA-N 1 2 312.417 2.567 40 0 DFABLO CCOc1ccc(-c2n[nH]c([C@@H]([NH3+])C(C)C)n2)cc1OCC ZINC000095534811 185379422 /nfs/dbraw/zinc/37/94/22/185379422.db2.gz ZBNCOZLELIVTJU-AWEZNQCLSA-N 1 2 304.394 2.925 40 0 DFABLO CCCc1nc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)no1 ZINC000079311613 185164544 /nfs/dbraw/zinc/16/45/44/185164544.db2.gz DJCGGWVGRSFKKT-INIZCTEOSA-N 1 2 315.417 2.894 40 0 DFABLO CCCc1nc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)no1 ZINC000079311613 185164545 /nfs/dbraw/zinc/16/45/45/185164545.db2.gz DJCGGWVGRSFKKT-INIZCTEOSA-N 1 2 315.417 2.894 40 0 DFABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000079353449 185166509 /nfs/dbraw/zinc/16/65/09/185166509.db2.gz GJNIUXOOLGWREG-CQSZACIVSA-N 1 2 321.490 2.819 40 0 DFABLO O=C(N1CCc2[nH+]cc(-c3ccccc3)n2CC1)C1(F)CCC1 ZINC000585111320 398432892 /nfs/dbraw/zinc/43/28/92/398432892.db2.gz OJNLRAOCOPVHKY-UHFFFAOYSA-N 1 2 313.376 2.827 40 0 DFABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000079033368 295741439 /nfs/dbraw/zinc/74/14/39/295741439.db2.gz BBMMYQGLGOLFAS-QKPAOTATSA-N 1 2 302.422 2.808 40 0 DFABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)NCC1CCC1 ZINC000083644135 192376215 /nfs/dbraw/zinc/37/62/15/192376215.db2.gz BIJDZVVHQNNPQR-UHFFFAOYSA-N 1 2 312.417 2.725 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000084012386 192395802 /nfs/dbraw/zinc/39/58/02/192395802.db2.gz PTIFGFLCSYJLDU-HNNXBMFYSA-N 1 2 305.809 2.955 40 0 DFABLO Cc1nn(C)c(Cl)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000084012386 192395804 /nfs/dbraw/zinc/39/58/04/192395804.db2.gz PTIFGFLCSYJLDU-HNNXBMFYSA-N 1 2 305.809 2.955 40 0 DFABLO Cc1ncc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000083953131 192391586 /nfs/dbraw/zinc/39/15/86/192391586.db2.gz ZNUGLDNOQHSKTD-FQEVSTJZSA-N 1 2 305.428 2.857 40 0 DFABLO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)c1cscn1 ZINC000072324113 191123411 /nfs/dbraw/zinc/12/34/11/191123411.db2.gz HJIJFALWZBYQPG-OAHLLOKOSA-N 1 2 319.430 2.719 40 0 DFABLO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)c1cscn1 ZINC000072324113 191123413 /nfs/dbraw/zinc/12/34/13/191123413.db2.gz HJIJFALWZBYQPG-OAHLLOKOSA-N 1 2 319.430 2.719 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072360156 191131502 /nfs/dbraw/zinc/13/15/02/191131502.db2.gz OVVJNJNRAHBWRH-LBPRGKRZSA-N 1 2 318.450 2.968 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072360156 191131503 /nfs/dbraw/zinc/13/15/03/191131503.db2.gz OVVJNJNRAHBWRH-LBPRGKRZSA-N 1 2 318.450 2.968 40 0 DFABLO C[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)Oc1ccc(Cl)cc1 ZINC000081350064 192254863 /nfs/dbraw/zinc/25/48/63/192254863.db2.gz QLRDGWIIXANKBO-RYUDHWBXSA-N 1 2 307.781 2.681 40 0 DFABLO COc1ccccc1CC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257239655 202972976 /nfs/dbraw/zinc/97/29/76/202972976.db2.gz HQGPMJYYWXBYOO-HNNXBMFYSA-N 1 2 313.401 2.675 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257289700 203015762 /nfs/dbraw/zinc/01/57/62/203015762.db2.gz PZVNMGZGOGAHMX-KRWDZBQOSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1c[nH]c([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257289700 203015765 /nfs/dbraw/zinc/01/57/65/203015765.db2.gz PZVNMGZGOGAHMX-KRWDZBQOSA-N 1 2 311.385 2.567 40 0 DFABLO Cc1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)nc[nH+]1 ZINC000257290114 203016557 /nfs/dbraw/zinc/01/65/57/203016557.db2.gz QBQHTHORYFZKEA-LJQANCHMSA-N 1 2 324.428 2.708 40 0 DFABLO COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257329751 203052608 /nfs/dbraw/zinc/05/26/08/203052608.db2.gz XLJSFTPVGNCRFS-GFCCVEGCSA-N 1 2 317.364 2.886 40 0 DFABLO O=C(CCc1cccs1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257321636 203046134 /nfs/dbraw/zinc/04/61/34/203046134.db2.gz WCMRPEMJNVEIJH-AWEZNQCLSA-N 1 2 315.442 2.861 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257344142 203066165 /nfs/dbraw/zinc/06/61/65/203066165.db2.gz ZVYALFKBYGMCAU-OAHLLOKOSA-N 1 2 323.396 2.900 40 0 DFABLO Cn1cncc1-c1nccnc1C1CCN(c2cccc[nH+]2)CC1 ZINC000257344030 203067465 /nfs/dbraw/zinc/06/74/65/203067465.db2.gz ZVMBGYHTKSHOFO-UHFFFAOYSA-N 1 2 320.400 2.656 40 0 DFABLO Nc1cccc([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257344079 203067700 /nfs/dbraw/zinc/06/77/00/203067700.db2.gz ZVSGAXMSRWIMFE-GOSISDBHSA-N 1 2 323.396 2.513 40 0 DFABLO Nc1cccc([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257344079 203067703 /nfs/dbraw/zinc/06/77/03/203067703.db2.gz ZVSGAXMSRWIMFE-GOSISDBHSA-N 1 2 323.396 2.513 40 0 DFABLO O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ncccn1)c1ccco1 ZINC000195560604 399186694 /nfs/dbraw/zinc/18/66/94/399186694.db2.gz MBDJYMICKPBJSC-ZBFHGGJFSA-N 1 2 313.332 2.621 40 0 DFABLO CCc1onc(C)c1C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000195567493 399186833 /nfs/dbraw/zinc/18/68/33/399186833.db2.gz XVJSSBMZTJAVER-UHFFFAOYSA-N 1 2 324.384 2.720 40 0 DFABLO C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)[NH+](C)C ZINC000195574645 399188018 /nfs/dbraw/zinc/18/80/18/399188018.db2.gz CUXZHJSEZAFGTG-NSHDSACASA-N 1 2 324.425 2.986 40 0 DFABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccc4ccccc4c3)no1)NC2 ZINC000015675916 182011870 /nfs/dbraw/zinc/01/18/70/182011870.db2.gz KPZJDIAMBKHXHA-HNNXBMFYSA-N 1 2 317.352 3.000 40 0 biogenic,in-vitro DFABLO O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000084525402 542510815 /nfs/dbraw/zinc/51/08/15/542510815.db2.gz YTJFBJJHVLSTAS-OKZBNKHCSA-N 1 2 308.381 2.865 40 0 DFABLO CCOc1cc([C@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)ccc1OC ZINC000095534448 257138020 /nfs/dbraw/zinc/13/80/20/257138020.db2.gz AIOMJHLKXGVGDD-ZDUSSCGKSA-N 1 2 304.394 2.558 40 0 DFABLO CCOc1cc([C@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000095534448 257138022 /nfs/dbraw/zinc/13/80/22/257138022.db2.gz AIOMJHLKXGVGDD-ZDUSSCGKSA-N 1 2 304.394 2.558 40 0 DFABLO CCc1[nH+]c2cc(NC(=O)C3Oc4ccccc4O3)ccc2n1C ZINC000012147372 425719854 /nfs/dbraw/zinc/71/98/54/425719854.db2.gz CDWWCAISOBKLNO-UHFFFAOYSA-N 1 2 323.352 2.872 40 0 DFABLO CC(C)C[N@@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000019447203 425790880 /nfs/dbraw/zinc/79/08/80/425790880.db2.gz NACCCHZSZHWYJM-UHFFFAOYSA-N 1 2 302.422 2.747 40 0 DFABLO CC(C)C[N@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000019447203 425790883 /nfs/dbraw/zinc/79/08/83/425790883.db2.gz NACCCHZSZHWYJM-UHFFFAOYSA-N 1 2 302.422 2.747 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000079851234 426204397 /nfs/dbraw/zinc/20/43/97/426204397.db2.gz XOMBJTTUGXKKQJ-UHFFFAOYSA-N 1 2 311.345 2.760 40 0 DFABLO CCc1cc(N2CCC(COC)CC2)nc(-c2ccncc2)[nH+]1 ZINC000078669851 426180176 /nfs/dbraw/zinc/18/01/76/426180176.db2.gz CBNWPIKVJDIOKH-UHFFFAOYSA-N 1 2 312.417 2.964 40 0 DFABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000079033374 426189295 /nfs/dbraw/zinc/18/92/95/426189295.db2.gz BBMMYQGLGOLFAS-QXSJWSMHSA-N 1 2 302.422 2.808 40 0 DFABLO Cc1noc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000079502902 426194869 /nfs/dbraw/zinc/19/48/69/426194869.db2.gz CASVSVXZYTUPOX-MRXNPFEDSA-N 1 2 301.390 2.602 40 0 DFABLO Cc1noc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000079502902 426194872 /nfs/dbraw/zinc/19/48/72/426194872.db2.gz CASVSVXZYTUPOX-MRXNPFEDSA-N 1 2 301.390 2.602 40 0 DFABLO O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)C1(c2ccccc2)CC1 ZINC000084525078 426239733 /nfs/dbraw/zinc/23/97/33/426239733.db2.gz FMXQDNKLWCFTDV-KRWDZBQOSA-N 1 2 308.381 2.793 40 0 DFABLO O=C(Nc1ccccc1F)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000085436353 426250793 /nfs/dbraw/zinc/25/07/93/426250793.db2.gz PMUMKAOEVRMNBV-UHFFFAOYSA-N 1 2 302.353 2.966 40 0 DFABLO Cc1[nH+]ccn1-c1ncc(NC(=O)c2cccc(Cl)c2)cn1 ZINC000085470424 426252181 /nfs/dbraw/zinc/25/21/81/426252181.db2.gz VLLHTBIDHDADGW-UHFFFAOYSA-N 1 2 313.748 2.876 40 0 DFABLO CC(C)COc1cncc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000086181478 426255491 /nfs/dbraw/zinc/25/54/91/426255491.db2.gz PWGGRWHPUZGLMM-UHFFFAOYSA-N 1 2 301.394 2.549 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2cn(CC)nc21 ZINC000096059908 426394469 /nfs/dbraw/zinc/39/44/69/426394469.db2.gz DOHPCHLZPCZFFB-HNNXBMFYSA-N 1 2 303.406 2.940 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2cn(CC)nc21 ZINC000096059908 426394473 /nfs/dbraw/zinc/39/44/73/426394473.db2.gz DOHPCHLZPCZFFB-HNNXBMFYSA-N 1 2 303.406 2.940 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096060214 426395486 /nfs/dbraw/zinc/39/54/86/426395486.db2.gz BZRSSFFXVJHPMQ-HNNXBMFYSA-N 1 2 315.417 2.565 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2ncn(C)c21 ZINC000096060214 426395488 /nfs/dbraw/zinc/39/54/88/426395488.db2.gz BZRSSFFXVJHPMQ-HNNXBMFYSA-N 1 2 315.417 2.565 40 0 DFABLO C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112248 426399166 /nfs/dbraw/zinc/39/91/66/426399166.db2.gz PYCVCJZIBWPBQB-SKDRFNHKSA-N 1 2 317.286 2.750 40 0 biogenic,in-vitro DFABLO C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112248 426399169 /nfs/dbraw/zinc/39/91/69/426399169.db2.gz PYCVCJZIBWPBQB-SKDRFNHKSA-N 1 2 317.286 2.750 40 0 biogenic,in-vitro DFABLO COc1ccc2nc(CO[C@H]3C[N@@H+](C(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112269 426399482 /nfs/dbraw/zinc/39/94/82/426399482.db2.gz ALYMILDMMLBVFC-DOMZBBRYSA-N 1 2 307.369 2.519 40 0 biogenic,in-vitro DFABLO COc1ccc2nc(CO[C@H]3C[N@H+](C(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112269 426399483 /nfs/dbraw/zinc/39/94/83/426399483.db2.gz ALYMILDMMLBVFC-DOMZBBRYSA-N 1 2 307.369 2.519 40 0 biogenic,in-vitro DFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@H](COCC1CC1)C2 ZINC000096187879 426404791 /nfs/dbraw/zinc/40/47/91/426404791.db2.gz RZFAUQPLVMZMLZ-INIZCTEOSA-N 1 2 301.390 2.535 40 0 DFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@H](COCC1CC1)C2 ZINC000096187879 426404793 /nfs/dbraw/zinc/40/47/93/426404793.db2.gz RZFAUQPLVMZMLZ-INIZCTEOSA-N 1 2 301.390 2.535 40 0 DFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@H](COCC1CC1)C2 ZINC000096187879 426404795 /nfs/dbraw/zinc/40/47/95/426404795.db2.gz RZFAUQPLVMZMLZ-INIZCTEOSA-N 1 2 301.390 2.535 40 0 DFABLO c1coc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041362 426390210 /nfs/dbraw/zinc/39/02/10/426390210.db2.gz LBQLAJNHWFETRV-BZSNNMDCSA-N 1 2 314.385 2.623 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC000096041362 426390212 /nfs/dbraw/zinc/39/02/12/426390212.db2.gz LBQLAJNHWFETRV-BZSNNMDCSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)co1 ZINC000096042153 426391397 /nfs/dbraw/zinc/39/13/97/426391397.db2.gz PJINYCBRERJVHR-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)co1 ZINC000096042153 426391399 /nfs/dbraw/zinc/39/13/99/426391399.db2.gz PJINYCBRERJVHR-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO O=C1N(c2cccnc2)CC[C@]12CCCN(c1cccc[nH+]1)C2 ZINC000096224504 426409542 /nfs/dbraw/zinc/40/95/42/426409542.db2.gz JONRTZZNLOUVMD-SFHVURJKSA-N 1 2 308.385 2.500 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cs1 ZINC000097953740 426475119 /nfs/dbraw/zinc/47/51/19/426475119.db2.gz QCALDMCDNCNHJZ-YESZJQIVSA-N 1 2 316.426 2.954 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cs1 ZINC000097953740 426475122 /nfs/dbraw/zinc/47/51/22/426475122.db2.gz QCALDMCDNCNHJZ-YESZJQIVSA-N 1 2 316.426 2.954 40 0 DFABLO c1coc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CCO3)c1 ZINC000247969829 426970866 /nfs/dbraw/zinc/97/08/66/426970866.db2.gz UEQJXSVNRINTHK-MRXNPFEDSA-N 1 2 314.385 2.625 40 0 DFABLO c1coc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CCO3)c1 ZINC000247969825 426971139 /nfs/dbraw/zinc/97/11/39/426971139.db2.gz UEQJXSVNRINTHK-INIZCTEOSA-N 1 2 314.385 2.625 40 0 DFABLO CNc1nc(NCc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328979632 427017572 /nfs/dbraw/zinc/01/75/72/427017572.db2.gz GIGZIJUUYGSBNL-UHFFFAOYSA-N 1 2 304.397 2.950 40 0 DFABLO CNc1nc(Nc2ccc(OC)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966970 427019295 /nfs/dbraw/zinc/01/92/95/427019295.db2.gz CPXCVVSKDFRZMY-UHFFFAOYSA-N 1 2 324.359 2.920 40 0 DFABLO CC1(C)Cc2ccccc2CN1c1cc(NCCCO)[nH+]cn1 ZINC000329008137 427024158 /nfs/dbraw/zinc/02/41/58/427024158.db2.gz LPYUIDLMEUTXLD-UHFFFAOYSA-N 1 2 312.417 2.612 40 0 DFABLO CC1(C)Cc2ccccc2CN1c1cc(NCCCO)nc[nH+]1 ZINC000329008137 427024164 /nfs/dbraw/zinc/02/41/64/427024164.db2.gz LPYUIDLMEUTXLD-UHFFFAOYSA-N 1 2 312.417 2.612 40 0 DFABLO CNc1nc(NCc2cccc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033364 427030319 /nfs/dbraw/zinc/03/03/19/427030319.db2.gz QTVVEZASJACOBV-UHFFFAOYSA-N 1 2 320.396 2.650 40 0 DFABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)ccc1F ZINC000329045008 427031051 /nfs/dbraw/zinc/03/10/51/427031051.db2.gz TTWWROXULIUCDI-UHFFFAOYSA-N 1 2 316.380 3.339 40 0 DFABLO CCNc1nc(NCc2cccc(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329053418 427032930 /nfs/dbraw/zinc/03/29/30/427032930.db2.gz VGNSTTNKSZBQDV-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329060558 427033051 /nfs/dbraw/zinc/03/30/51/427033051.db2.gz WMKSROMSLYFNFF-SNVBAGLBSA-N 1 2 318.808 3.544 40 0 DFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H](COCC3CC3)C[C@H]21 ZINC000252001723 427170818 /nfs/dbraw/zinc/17/08/18/427170818.db2.gz MPSHOBBCJQTEOS-KBAYOESNSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@H](COCC3CC3)C[C@H]21 ZINC000252001723 427170825 /nfs/dbraw/zinc/17/08/25/427170825.db2.gz MPSHOBBCJQTEOS-KBAYOESNSA-N 1 2 320.433 2.697 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257211988 427313146 /nfs/dbraw/zinc/31/31/46/427313146.db2.gz CBLBNBVXMGQYKJ-INIZCTEOSA-N 1 2 324.428 2.948 40 0 DFABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257238912 427321998 /nfs/dbraw/zinc/32/19/98/427321998.db2.gz HNCDNQLXQLTADR-QGZVFWFLSA-N 1 2 322.416 2.782 40 0 DFABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257238912 427322004 /nfs/dbraw/zinc/32/20/04/427322004.db2.gz HNCDNQLXQLTADR-QGZVFWFLSA-N 1 2 322.416 2.782 40 0 DFABLO c1nc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)c[nH]1 ZINC000257254134 427324209 /nfs/dbraw/zinc/32/42/09/427324209.db2.gz KBUKBQDNMIVBQP-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO c1nc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)c[nH]1 ZINC000257254134 427324217 /nfs/dbraw/zinc/32/42/17/427324217.db2.gz KBUKBQDNMIVBQP-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO c1ncc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257254134 427324222 /nfs/dbraw/zinc/32/42/22/427324222.db2.gz KBUKBQDNMIVBQP-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO c1ncc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257254134 427324228 /nfs/dbraw/zinc/32/42/28/427324228.db2.gz KBUKBQDNMIVBQP-HNNXBMFYSA-N 1 2 321.388 2.675 40 0 DFABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257259641 427327969 /nfs/dbraw/zinc/32/79/69/427327969.db2.gz KZHJAMMCJXFHAW-MRXNPFEDSA-N 1 2 324.432 2.725 40 0 DFABLO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2cnn3c2nc(C)cc3C)n1 ZINC000257259641 427327974 /nfs/dbraw/zinc/32/79/74/427327974.db2.gz KZHJAMMCJXFHAW-MRXNPFEDSA-N 1 2 324.432 2.725 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257265860 427328888 /nfs/dbraw/zinc/32/88/88/427328888.db2.gz MAQXFYPFOFRQKG-CQSZACIVSA-N 1 2 309.373 2.582 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)cc[nH+]1 ZINC000257258109 427329326 /nfs/dbraw/zinc/32/93/26/427329326.db2.gz KSKRODLVISOOJN-DWTRPJMMSA-N 1 2 308.385 2.895 40 0 DFABLO Cc1cc(N2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cncnc2)nc[nH+]1 ZINC000257290633 427331494 /nfs/dbraw/zinc/33/14/94/427331494.db2.gz QDRQNHAJRLXNNW-BRWVUGGUSA-N 1 2 309.417 2.670 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257270083 427333472 /nfs/dbraw/zinc/33/34/72/427333472.db2.gz MSRSBHDAUARINC-LLVKDONJSA-N 1 2 322.796 2.698 40 0 DFABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1Cc1cc(C)on1 ZINC000257298168 427333799 /nfs/dbraw/zinc/33/37/99/427333799.db2.gz RKLQBQTUUWKOLU-MRXNPFEDSA-N 1 2 324.384 2.945 40 0 DFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnns2)CC1 ZINC000192352668 427524600 /nfs/dbraw/zinc/52/46/00/427524600.db2.gz HISTYGAUCKTOJD-SNVBAGLBSA-N 1 2 323.447 2.510 40 0 DFABLO O[C@H](Cn1nc(C(F)(F)F)c2c[nH+]ccc21)CC(F)(F)F ZINC000193005625 427650086 /nfs/dbraw/zinc/65/00/86/427650086.db2.gz RINRFRIAUGADAZ-LURJTMIESA-N 1 2 313.201 2.763 40 0 DFABLO COC[C@H]1Cn2c[nH+]cc2CN(Cc2ccc(Cl)c(F)c2)C1 ZINC000096219698 277607720 /nfs/dbraw/zinc/60/77/20/277607720.db2.gz QGKRBSDGAGIKAW-CYBMUJFWSA-N 1 2 323.799 2.954 40 0 DFABLO CC(C)(C)OC(=O)CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000192415377 278371692 /nfs/dbraw/zinc/37/16/92/278371692.db2.gz FWBTUJOBHKEGNU-GFCCVEGCSA-N 1 2 307.394 2.585 40 0 DFABLO CC[N@@H+]1CCO[C@@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000031961921 279386843 /nfs/dbraw/zinc/38/68/43/279386843.db2.gz MDPIBSWCGDZSOV-OALUTQOASA-N 1 2 313.397 2.934 40 0 DFABLO CC[N@H+]1CCO[C@@](O)(c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000031961921 279386844 /nfs/dbraw/zinc/38/68/44/279386844.db2.gz MDPIBSWCGDZSOV-OALUTQOASA-N 1 2 313.397 2.934 40 0 DFABLO Cc1cccc2ncnc(N3CCC([C@H](O)c4[nH]cc[nH+]4)CC3)c12 ZINC000302791593 281322766 /nfs/dbraw/zinc/32/27/66/281322766.db2.gz YUUBMFWQLMHFPP-INIZCTEOSA-N 1 2 323.400 2.611 40 0 DFABLO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)nc1 ZINC000079035193 185147772 /nfs/dbraw/zinc/14/77/72/185147772.db2.gz KWFXUXMDWZIQTG-UHFFFAOYSA-N 1 2 309.822 2.545 40 0 DFABLO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)nc1 ZINC000079035193 185147773 /nfs/dbraw/zinc/14/77/73/185147773.db2.gz KWFXUXMDWZIQTG-UHFFFAOYSA-N 1 2 309.822 2.545 40 0 DFABLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000079354306 185166513 /nfs/dbraw/zinc/16/65/13/185166513.db2.gz VWLMBJAYSHKBIG-LSDHHAIUSA-N 1 2 305.809 2.980 40 0 DFABLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000079354306 185166515 /nfs/dbraw/zinc/16/65/15/185166515.db2.gz VWLMBJAYSHKBIG-LSDHHAIUSA-N 1 2 305.809 2.980 40 0 DFABLO CNc1nc(Nc2cccc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969956 529833566 /nfs/dbraw/zinc/83/35/66/529833566.db2.gz DHHCGIWMTZVEDT-UHFFFAOYSA-N 1 2 306.369 2.781 40 0 DFABLO CO[C@]1(COc2ccccc2)CCC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585275028 398438710 /nfs/dbraw/zinc/43/87/10/398438710.db2.gz UGBSQGMLMWPKQC-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO CO[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585275028 398438712 /nfs/dbraw/zinc/43/87/12/398438712.db2.gz UGBSQGMLMWPKQC-GOSISDBHSA-N 1 2 315.417 2.778 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000072351368 191129301 /nfs/dbraw/zinc/12/93/01/191129301.db2.gz QHJHZTPJIJJRHN-OAHLLOKOSA-N 1 2 316.380 2.588 40 0 DFABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000072351368 191129303 /nfs/dbraw/zinc/12/93/03/191129303.db2.gz QHJHZTPJIJJRHN-OAHLLOKOSA-N 1 2 316.380 2.588 40 0 DFABLO CN(C)c1cccc(C2CCN(C(=O)c3cccnc3)CC2)[nH+]1 ZINC000072368212 191138158 /nfs/dbraw/zinc/13/81/58/191138158.db2.gz ZMPIVMPALPPWJE-UHFFFAOYSA-N 1 2 310.401 2.562 40 0 DFABLO C[N@@H+]1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@@H]1c1ccccc1 ZINC000074563391 398753314 /nfs/dbraw/zinc/75/33/14/398753314.db2.gz IZGCZMWLXQVDAF-GOSISDBHSA-N 1 2 320.396 2.692 40 0 DFABLO C[N@H+]1CCN(C(=O)c2ccc3[nH]cnc3c2)C[C@@H]1c1ccccc1 ZINC000074563391 398753318 /nfs/dbraw/zinc/75/33/18/398753318.db2.gz IZGCZMWLXQVDAF-GOSISDBHSA-N 1 2 320.396 2.692 40 0 DFABLO O=C(Cc1ccccc1F)NCc1[nH+]ccn1Cc1ccccc1 ZINC000081001216 192211765 /nfs/dbraw/zinc/21/17/65/192211765.db2.gz AJOXUMIYPLIJNZ-UHFFFAOYSA-N 1 2 323.371 2.929 40 0 DFABLO CCc1noc(C)c1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000081444176 192267119 /nfs/dbraw/zinc/26/71/19/192267119.db2.gz JVOYPPQEOCPXLA-UHFFFAOYSA-N 1 2 324.384 2.936 40 0 DFABLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccncc1 ZINC000193369236 201041221 /nfs/dbraw/zinc/04/12/21/201041221.db2.gz MSEWVJLTUVGPJJ-GFCCVEGCSA-N 1 2 301.419 2.598 40 0 DFABLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccncc1 ZINC000193369236 201041224 /nfs/dbraw/zinc/04/12/24/201041224.db2.gz MSEWVJLTUVGPJJ-GFCCVEGCSA-N 1 2 301.419 2.598 40 0 DFABLO CSC1(CNC(=O)NCc2[nH+]ccn2CC(C)C)CCC1 ZINC000194989132 201322929 /nfs/dbraw/zinc/32/29/29/201322929.db2.gz ZIAHCZXGTZTLKO-UHFFFAOYSA-N 1 2 310.467 2.624 40 0 DFABLO Cc1cccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257270296 203000517 /nfs/dbraw/zinc/00/05/17/203000517.db2.gz MTPPVDJNTHXPBK-HNNXBMFYSA-N 1 2 310.401 2.526 40 0 DFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257274281 203002544 /nfs/dbraw/zinc/00/25/44/203002544.db2.gz NKIQSKHZDWHIAS-AWEZNQCLSA-N 1 2 320.400 2.954 40 0 DFABLO CC(=O)N1CC[N@H+](Cc2cccc(C)n2)[C@@H](c2ccccc2)C1 ZINC000257300823 203025797 /nfs/dbraw/zinc/02/57/97/203025797.db2.gz RVVNFYITYBRSLK-LJQANCHMSA-N 1 2 309.413 2.795 40 0 DFABLO CC(=O)N1CC[N@@H+](Cc2cccc(C)n2)[C@@H](c2ccccc2)C1 ZINC000257300823 203025798 /nfs/dbraw/zinc/02/57/98/203025798.db2.gz RVVNFYITYBRSLK-LJQANCHMSA-N 1 2 309.413 2.795 40 0 DFABLO c1c[nH]c(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257303385 203027481 /nfs/dbraw/zinc/02/74/81/203027481.db2.gz SGZQGVRAUCOGQN-AWEZNQCLSA-N 1 2 321.388 2.675 40 0 DFABLO c1c[nH]c(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1 ZINC000257303385 203027484 /nfs/dbraw/zinc/02/74/84/203027484.db2.gz SGZQGVRAUCOGQN-AWEZNQCLSA-N 1 2 321.388 2.675 40 0 DFABLO c1c[nH+]c(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)[nH]1 ZINC000257303385 203027488 /nfs/dbraw/zinc/02/74/88/203027488.db2.gz SGZQGVRAUCOGQN-AWEZNQCLSA-N 1 2 321.388 2.675 40 0 DFABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cc1 ZINC000257307273 203033096 /nfs/dbraw/zinc/03/30/96/203033096.db2.gz SXYUKAYFHORKHL-SFHVURJKSA-N 1 2 311.385 2.614 40 0 DFABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3ccccn3)C2)cc1 ZINC000257307273 203033099 /nfs/dbraw/zinc/03/30/99/203033099.db2.gz SXYUKAYFHORKHL-SFHVURJKSA-N 1 2 311.385 2.614 40 0 DFABLO CCCc1nnsc1C(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257309865 203034567 /nfs/dbraw/zinc/03/45/67/203034567.db2.gz UCSHBMJIVMENQA-NSHDSACASA-N 1 2 319.434 2.542 40 0 DFABLO Cc1cc(C(=O)N2CCCCCCC2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257285660 203012372 /nfs/dbraw/zinc/01/23/72/203012372.db2.gz PIDVKHUCZPMKII-INIZCTEOSA-N 1 2 316.449 2.958 40 0 DFABLO Cc1cc(C(=O)N2CCCCCCC2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257285660 203012375 /nfs/dbraw/zinc/01/23/75/203012375.db2.gz PIDVKHUCZPMKII-INIZCTEOSA-N 1 2 316.449 2.958 40 0 DFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257332062 203054492 /nfs/dbraw/zinc/05/44/92/203054492.db2.gz XVOFHWMDZQYKJA-CQSZACIVSA-N 1 2 309.369 2.510 40 0 DFABLO c1c[nH]c(-c2cnc([C@@H]3CCC[N@H+]3Cc3cscn3)cn2)n1 ZINC000257334804 203056023 /nfs/dbraw/zinc/05/60/23/203056023.db2.gz YHLDKRUWNXOVDF-AWEZNQCLSA-N 1 2 312.402 2.660 40 0 DFABLO c1c[nH]c(-c2cnc([C@@H]3CCC[N@@H+]3Cc3cscn3)cn2)n1 ZINC000257334804 203056027 /nfs/dbraw/zinc/05/60/27/203056027.db2.gz YHLDKRUWNXOVDF-AWEZNQCLSA-N 1 2 312.402 2.660 40 0 DFABLO O=C(CCc1cccs1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257321637 203044408 /nfs/dbraw/zinc/04/44/08/203044408.db2.gz WCMRPEMJNVEIJH-CQSZACIVSA-N 1 2 315.442 2.861 40 0 DFABLO CCOc1ccc(C[N@@H+]2CCCC2c2ccncn2)cc1CO ZINC000257324260 203049380 /nfs/dbraw/zinc/04/93/80/203049380.db2.gz WNWXOYSZSAHGSI-QGZVFWFLSA-N 1 2 313.401 2.705 40 0 DFABLO CCOc1ccc(C[N@H+]2CCCC2c2ccncn2)cc1CO ZINC000257324260 203049382 /nfs/dbraw/zinc/04/93/82/203049382.db2.gz WNWXOYSZSAHGSI-QGZVFWFLSA-N 1 2 313.401 2.705 40 0 DFABLO CCCO[C@H]1CCCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C1 ZINC000257340869 203061775 /nfs/dbraw/zinc/06/17/75/203061775.db2.gz ZHVQLNJLVCVLDZ-HNNXBMFYSA-N 1 2 315.417 2.603 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3C)C2)[nH+]1 ZINC000257341982 203064904 /nfs/dbraw/zinc/06/49/04/203064904.db2.gz ZMPNDBGKEBYVCH-CQSZACIVSA-N 1 2 319.430 2.595 40 0 DFABLO c1ccc(-c2noc([C@@H]3C[N@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000019374369 182120943 /nfs/dbraw/zinc/12/09/43/182120943.db2.gz LXMGBVMJRLYKCO-INIZCTEOSA-N 1 2 322.368 2.705 40 0 DFABLO c1ccc(-c2noc([C@@H]3C[N@@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000019374369 182120945 /nfs/dbraw/zinc/12/09/45/182120945.db2.gz LXMGBVMJRLYKCO-INIZCTEOSA-N 1 2 322.368 2.705 40 0 DFABLO O=C(Nc1cccc(F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020458696 182220235 /nfs/dbraw/zinc/22/02/35/182220235.db2.gz SYMOBQOUWVWYQH-UHFFFAOYSA-N 1 2 314.360 2.910 40 0 DFABLO COc1ccc(C)cc1C[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000084142408 542505893 /nfs/dbraw/zinc/50/58/93/542505893.db2.gz GMYXJNNDPYAETD-CYBMUJFWSA-N 1 2 300.406 2.782 40 0 DFABLO Cc1[nH+]c2cc(NC(=O)N(CCO)c3ccccc3)ccc2n1C ZINC000409145592 257221841 /nfs/dbraw/zinc/22/18/41/257221841.db2.gz IVYNKJWZPVMFCO-UHFFFAOYSA-N 1 2 324.384 2.913 40 0 DFABLO Cc1nc2ccc(NC(=S)Nc3cc[nH+]cc3)cc2nc1C ZINC000408735722 257227437 /nfs/dbraw/zinc/22/74/37/257227437.db2.gz VRGBSPASMINACL-UHFFFAOYSA-N 1 2 309.398 2.872 40 0 DFABLO COCC[NH+]=C1NC=N[C@H]2SCC(c3ccc(C)cc3)=C12 ZINC000057369733 425896436 /nfs/dbraw/zinc/89/64/36/425896436.db2.gz RGDGJMJVHWEICB-HOCLYGCPSA-N 1 2 301.415 2.701 40 0 DFABLO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1[nH]nc2c1CCCC2 ZINC000012143736 425720330 /nfs/dbraw/zinc/72/03/30/425720330.db2.gz LVKRSRGKZGAXDO-UHFFFAOYSA-N 1 2 301.438 2.941 40 0 DFABLO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1[nH]nc2c1CCCC2 ZINC000012143736 425720333 /nfs/dbraw/zinc/72/03/33/425720333.db2.gz LVKRSRGKZGAXDO-UHFFFAOYSA-N 1 2 301.438 2.941 40 0 DFABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000012221721 425721816 /nfs/dbraw/zinc/72/18/16/425721816.db2.gz IWXVRLIFMOFPGU-GOSISDBHSA-N 1 2 321.380 2.574 40 0 DFABLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCSCC2)c1 ZINC000084131299 426233098 /nfs/dbraw/zinc/23/30/98/426233098.db2.gz YLDGKTVWKNWVIX-UHFFFAOYSA-N 1 2 301.415 2.806 40 0 DFABLO CC(C)c1nnc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC000084631261 426241982 /nfs/dbraw/zinc/24/19/82/426241982.db2.gz CGEQFJYYNDLZRX-GFCCVEGCSA-N 1 2 324.425 2.634 40 0 DFABLO CC(C)c1nnc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC000084631261 426241984 /nfs/dbraw/zinc/24/19/84/426241984.db2.gz CGEQFJYYNDLZRX-GFCCVEGCSA-N 1 2 324.425 2.634 40 0 DFABLO Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cn3cc[nH+]c3)cc2)n1 ZINC000085293726 426249908 /nfs/dbraw/zinc/24/99/08/426249908.db2.gz ASEPHMYNWHQRRW-HNNXBMFYSA-N 1 2 323.400 2.563 40 0 DFABLO c1nc(COCC2CC2)c2n1CCC[N@@H+](Cc1ccccn1)C2 ZINC000096059023 426394767 /nfs/dbraw/zinc/39/47/67/426394767.db2.gz JCRRFERKOKWFRQ-UHFFFAOYSA-N 1 2 312.417 2.611 40 0 DFABLO c1nc(COCC2CC2)c2n1CCC[N@H+](Cc1ccccn1)C2 ZINC000096059023 426394770 /nfs/dbraw/zinc/39/47/70/426394770.db2.gz JCRRFERKOKWFRQ-UHFFFAOYSA-N 1 2 312.417 2.611 40 0 DFABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2nn(CC3CC3)cc21 ZINC000096060439 426394975 /nfs/dbraw/zinc/39/49/75/426394975.db2.gz DODKGVUUPGBVPN-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2nn(CC3CC3)cc21 ZINC000096060439 426394976 /nfs/dbraw/zinc/39/49/76/426394976.db2.gz DODKGVUUPGBVPN-CQSZACIVSA-N 1 2 301.390 2.632 40 0 DFABLO O=C(c1cccnc1)N1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096158151 426402481 /nfs/dbraw/zinc/40/24/81/426402481.db2.gz WQGMXJBSPDVBNH-IBGZPJMESA-N 1 2 322.412 2.609 40 0 DFABLO Cc1occc1C(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198917 426406028 /nfs/dbraw/zinc/40/60/28/426406028.db2.gz HZKJGIWJWWWLNH-UHFFFAOYSA-N 1 2 311.385 2.855 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccoc1)C2 ZINC000096198268 426406314 /nfs/dbraw/zinc/40/63/14/426406314.db2.gz UGIMZVSHBGDTRR-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccoc1)C2 ZINC000096198268 426406317 /nfs/dbraw/zinc/40/63/17/426406317.db2.gz UGIMZVSHBGDTRR-INIZCTEOSA-N 1 2 301.390 2.539 40 0 DFABLO c1coc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096042196 426391389 /nfs/dbraw/zinc/39/13/89/426391389.db2.gz OJQBRHPZJOZFIJ-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO c1coc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC000096042196 426391392 /nfs/dbraw/zinc/39/13/92/426391392.db2.gz OJQBRHPZJOZFIJ-OKZBNKHCSA-N 1 2 314.385 2.623 40 0 DFABLO CCc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)o1 ZINC000096046200 426391628 /nfs/dbraw/zinc/39/16/28/426391628.db2.gz JYUYRPYBBKOYIS-APHBMKBZSA-N 1 2 316.405 2.621 40 0 DFABLO CCc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)o1 ZINC000096046200 426391630 /nfs/dbraw/zinc/39/16/30/426391630.db2.gz JYUYRPYBBKOYIS-APHBMKBZSA-N 1 2 316.405 2.621 40 0 DFABLO Cc1cccc(C[N@@H+]2CCc3onc(Cn4cccc4)c3C2)n1 ZINC000096259760 426410669 /nfs/dbraw/zinc/41/06/69/426410669.db2.gz TZAIMSUCYCWYDF-UHFFFAOYSA-N 1 2 308.385 2.786 40 0 DFABLO Cc1cccc(C[N@H+]2CCc3onc(Cn4cccc4)c3C2)n1 ZINC000096259760 426410670 /nfs/dbraw/zinc/41/06/70/426410670.db2.gz TZAIMSUCYCWYDF-UHFFFAOYSA-N 1 2 308.385 2.786 40 0 DFABLO Cc1cc2nc([C@H]([NH2+]Cc3cccnc3)C(C)C)cc(=O)n2[nH]1 ZINC000100217716 426481596 /nfs/dbraw/zinc/48/15/96/426481596.db2.gz DDJXRFWDVOVHOP-QGZVFWFLSA-N 1 2 311.389 2.625 40 0 DFABLO c1ccc(CN2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)nc1 ZINC000248126392 426981214 /nfs/dbraw/zinc/98/12/14/426981214.db2.gz XCTLTAWXRUISTK-INIZCTEOSA-N 1 2 324.428 2.570 40 0 DFABLO CCNc1nc(NCc2ccc(C)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329030210 427028365 /nfs/dbraw/zinc/02/83/65/427028365.db2.gz QCFURFQCUDGODA-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO CC1(C)CN(c2cc(NCCCO)[nH+]cn2)Cc2ccccc21 ZINC000329045513 427029951 /nfs/dbraw/zinc/02/99/51/427029951.db2.gz TWCDLVCNDWAJFX-UHFFFAOYSA-N 1 2 312.417 2.569 40 0 DFABLO CC1(C)CN(c2cc(NCCCO)nc[nH+]2)Cc2ccccc21 ZINC000329045513 427029959 /nfs/dbraw/zinc/02/99/59/427029959.db2.gz TWCDLVCNDWAJFX-UHFFFAOYSA-N 1 2 312.417 2.569 40 0 DFABLO c1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)cc1 ZINC000329035477 427031845 /nfs/dbraw/zinc/03/18/45/427031845.db2.gz RFFTUCANUGSQQD-UHFFFAOYSA-N 1 2 317.396 2.569 40 0 DFABLO CCNc1nc(NCc2ccccc2C)cc(-c2cccnc2)[nH+]1 ZINC000329053297 427034083 /nfs/dbraw/zinc/03/40/83/427034083.db2.gz VFKGQOWKACOVEY-UHFFFAOYSA-N 1 2 319.412 2.735 40 0 DFABLO CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329050032 427034365 /nfs/dbraw/zinc/03/43/65/427034365.db2.gz URWJIOLWWDTTSU-UHFFFAOYSA-N 1 2 324.306 2.980 40 0 DFABLO CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329050032 427034369 /nfs/dbraw/zinc/03/43/69/427034369.db2.gz URWJIOLWWDTTSU-UHFFFAOYSA-N 1 2 324.306 2.980 40 0 DFABLO CNc1nc(Nc2cc(C)cc(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329062893 427036804 /nfs/dbraw/zinc/03/68/04/427036804.db2.gz WZXQXZMKIHHEOC-UHFFFAOYSA-N 1 2 305.385 2.785 40 0 DFABLO CNc1nc(NCc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329062952 427037663 /nfs/dbraw/zinc/03/76/63/427037663.db2.gz XBFWTHBDGAYXBX-UHFFFAOYSA-N 1 2 304.397 2.950 40 0 DFABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(F)c1F ZINC000329070547 427037915 /nfs/dbraw/zinc/03/79/15/427037915.db2.gz ZHQIOANBITZCJY-UHFFFAOYSA-N 1 2 320.318 2.933 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)co1 ZINC000253595385 427216569 /nfs/dbraw/zinc/21/65/69/427216569.db2.gz CQVCWRGEGOOKLR-SFHVURJKSA-N 1 2 324.384 2.645 40 0 DFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)C2CCCC2)cc[nH+]1 ZINC000257208299 427309200 /nfs/dbraw/zinc/30/92/00/427309200.db2.gz BLNMSWCHONIVGF-CQSZACIVSA-N 1 2 309.435 2.533 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4c(s3)CCC4)C2)[nH+]1 ZINC000257225292 427317951 /nfs/dbraw/zinc/31/79/51/427317951.db2.gz FFQLFERZKAPUHX-LBPRGKRZSA-N 1 2 301.415 2.898 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257224042 427318187 /nfs/dbraw/zinc/31/81/87/427318187.db2.gz FABKRNHPOKHNGP-HNNXBMFYSA-N 1 2 313.401 2.514 40 0 DFABLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)c[nH]1 ZINC000257248869 427323642 /nfs/dbraw/zinc/32/36/42/427323642.db2.gz JFOPXKJUIFCTBV-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO c1nc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ncccn3)c2)c[nH]1 ZINC000257248869 427323648 /nfs/dbraw/zinc/32/36/48/427323648.db2.gz JFOPXKJUIFCTBV-OAHLLOKOSA-N 1 2 321.388 2.675 40 0 DFABLO CN(C)c1cc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)cc[nH+]1 ZINC000257256702 427325797 /nfs/dbraw/zinc/32/57/97/427325797.db2.gz KMMRMSDYPCHFRA-FUTAKVPZSA-N 1 2 322.412 2.920 40 0 DFABLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)c[nH]2)cc1CO ZINC000257269135 427326797 /nfs/dbraw/zinc/32/67/97/427326797.db2.gz MOSKSQGWIBRPPB-MRXNPFEDSA-N 1 2 315.417 2.946 40 0 DFABLO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)c[nH]2)cc1CO ZINC000257269135 427326807 /nfs/dbraw/zinc/32/68/07/427326807.db2.gz MOSKSQGWIBRPPB-MRXNPFEDSA-N 1 2 315.417 2.946 40 0 DFABLO CN(C)c1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257269622 427327815 /nfs/dbraw/zinc/32/78/15/427327815.db2.gz MQSJUIIFXHXPPE-HNNXBMFYSA-N 1 2 303.431 2.783 40 0 DFABLO CN(C)c1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257269622 427327819 /nfs/dbraw/zinc/32/78/19/427327819.db2.gz MQSJUIIFXHXPPE-HNNXBMFYSA-N 1 2 303.431 2.783 40 0 DFABLO CCc1[nH+]ccn1-c1ccc(C(=O)Nc2nc(C)cs2)cn1 ZINC000257268631 427329475 /nfs/dbraw/zinc/32/94/75/427329475.db2.gz MMNATPAERVHWLZ-UHFFFAOYSA-N 1 2 313.386 2.847 40 0 DFABLO CN(C)c1cccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257269623 427332034 /nfs/dbraw/zinc/33/20/34/427332034.db2.gz MQSJUIIFXHXPPE-OAHLLOKOSA-N 1 2 303.431 2.783 40 0 DFABLO CN(C)c1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257269623 427332042 /nfs/dbraw/zinc/33/20/42/427332042.db2.gz MQSJUIIFXHXPPE-OAHLLOKOSA-N 1 2 303.431 2.783 40 0 DFABLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(N(C)C)no1)CCC2 ZINC000192764583 427605451 /nfs/dbraw/zinc/60/54/51/427605451.db2.gz WSCBORGCRZCEOF-NSHDSACASA-N 1 2 321.450 2.664 40 0 DFABLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(N(C)C)no1)CCC2 ZINC000192764583 427605454 /nfs/dbraw/zinc/60/54/54/427605454.db2.gz WSCBORGCRZCEOF-NSHDSACASA-N 1 2 321.450 2.664 40 0 DFABLO Cc1nc([C@@H]2C[N@H+](CC[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000194042266 427727216 /nfs/dbraw/zinc/72/72/16/427727216.db2.gz FSEJMCHHVHYTPL-CJNGLKHVSA-N 1 2 300.406 2.680 40 0 DFABLO Cc1nc([C@@H]2C[N@@H+](CC[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000194042266 427727220 /nfs/dbraw/zinc/72/72/20/427727220.db2.gz FSEJMCHHVHYTPL-CJNGLKHVSA-N 1 2 300.406 2.680 40 0 DFABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078911107 185127421 /nfs/dbraw/zinc/12/74/21/185127421.db2.gz RMCUWEUAZRVWIF-CHWSQXEVSA-N 1 2 323.318 2.859 40 0 DFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)c1nccs1 ZINC000078941426 185132698 /nfs/dbraw/zinc/13/26/98/185132698.db2.gz ZIBAHQFOTNWVFZ-LLVKDONJSA-N 1 2 307.423 2.556 40 0 DFABLO CC(C)C[C@@H](NC(=O)Cn1cc[nH+]c1)c1nc2ccccc2[nH]1 ZINC000078965296 185136613 /nfs/dbraw/zinc/13/66/13/185136613.db2.gz BYQHIUGWHCBXDQ-OAHLLOKOSA-N 1 2 311.389 2.663 40 0 DFABLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000079001673 185144994 /nfs/dbraw/zinc/14/49/94/185144994.db2.gz VTZPNLLKESNWSF-LSDHHAIUSA-N 1 2 315.417 2.757 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)co1 ZINC000306124559 231083661 /nfs/dbraw/zinc/08/36/61/231083661.db2.gz BTOLSDAYMMHSTF-BBWFWOEESA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)co1 ZINC000306124559 231083665 /nfs/dbraw/zinc/08/36/65/231083665.db2.gz BTOLSDAYMMHSTF-BBWFWOEESA-N 1 2 314.385 2.733 40 0 DFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000079353445 185166530 /nfs/dbraw/zinc/16/65/30/185166530.db2.gz GJNIUXOOLGWREG-AWEZNQCLSA-N 1 2 321.490 2.819 40 0 DFABLO CC(C)Cn1cc[nH+]c1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000080463151 192158962 /nfs/dbraw/zinc/15/89/62/192158962.db2.gz HBAPUELWNJSSOL-UHFFFAOYSA-N 1 2 323.400 2.859 40 0 DFABLO CCn1c[nH+]cc1CN1[C@@H]2CC[C@H]1Cc1c2cnc2cc(C)nn21 ZINC000072336969 191126670 /nfs/dbraw/zinc/12/66/70/191126670.db2.gz BHYWDGBZSGDDRN-XJKSGUPXSA-N 1 2 322.416 2.516 40 0 DFABLO Cc1cc(Nc2nccs2)nc([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000072382374 191142336 /nfs/dbraw/zinc/14/23/36/191142336.db2.gz MWEARLFGJBOCPJ-GFCCVEGCSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1cc(Nc2nccs2)nc([C@H]2CCCC[N@H+]2CCO)n1 ZINC000072382374 191142339 /nfs/dbraw/zinc/14/23/39/191142339.db2.gz MWEARLFGJBOCPJ-GFCCVEGCSA-N 1 2 319.434 2.504 40 0 DFABLO CCNC(=O)c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000080970335 192206895 /nfs/dbraw/zinc/20/68/95/192206895.db2.gz JLQCXIGYAWKLQM-UHFFFAOYSA-N 1 2 323.400 2.752 40 0 DFABLO C[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)Oc1ccc(Cl)cc1 ZINC000081350063 192254422 /nfs/dbraw/zinc/25/44/22/192254422.db2.gz QLRDGWIIXANKBO-VXGBXAGGSA-N 1 2 307.781 2.681 40 0 DFABLO O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1cscn1 ZINC000078987362 399005429 /nfs/dbraw/zinc/00/54/29/399005429.db2.gz GMXTXVRXEKLEIG-CVEARBPZSA-N 1 2 324.409 2.998 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2Cc2cccc3cccnc32)[nH+]1 ZINC000257212831 202949397 /nfs/dbraw/zinc/94/93/97/202949397.db2.gz CFDMXKUNXPMEHI-MRXNPFEDSA-N 1 2 308.385 2.840 40 0 DFABLO CC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2c[nH+]c(C)n2C)n1 ZINC000257270066 202998706 /nfs/dbraw/zinc/99/87/06/202998706.db2.gz MSQUNBPVUCYALC-HNNXBMFYSA-N 1 2 313.405 2.567 40 0 DFABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2nccs2)nc1 ZINC000257273036 203001710 /nfs/dbraw/zinc/00/17/10/203001710.db2.gz NEYGROIAPGTFBT-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2nccs2)nc1 ZINC000257273036 203001714 /nfs/dbraw/zinc/00/17/14/203001714.db2.gz NEYGROIAPGTFBT-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Oc2ccccc2F)n1 ZINC000257285910 203012501 /nfs/dbraw/zinc/01/25/01/203012501.db2.gz PJKGDCHAHXNSKS-AWEZNQCLSA-N 1 2 315.348 2.635 40 0 DFABLO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Oc2ccccc2F)n1 ZINC000257285910 203012504 /nfs/dbraw/zinc/01/25/04/203012504.db2.gz PJKGDCHAHXNSKS-AWEZNQCLSA-N 1 2 315.348 2.635 40 0 DFABLO c1ccc(N2CC[NH+](Cc3ccnc([C@@H]4CCCO4)n3)CC2)cc1 ZINC000257284852 203012537 /nfs/dbraw/zinc/01/25/37/203012537.db2.gz PEOHQLGALOWOEE-SFHVURJKSA-N 1 2 324.428 2.650 40 0 DFABLO C[C@]1(O)C[N@H+](Cc2ncccc2F)CC[C@@H]1Oc1ccccc1 ZINC000257327487 203051504 /nfs/dbraw/zinc/05/15/04/203051504.db2.gz XBNQEQXZJAFEIA-ROUUACIJSA-N 1 2 316.376 2.625 40 0 DFABLO C[C@]1(O)C[N@@H+](Cc2ncccc2F)CC[C@@H]1Oc1ccccc1 ZINC000257327487 203051507 /nfs/dbraw/zinc/05/15/07/203051507.db2.gz XBNQEQXZJAFEIA-ROUUACIJSA-N 1 2 316.376 2.625 40 0 DFABLO c1c[nH]c(-c2cnc([C@H]3CCC[N@H+]3Cc3cscn3)cn2)n1 ZINC000257334805 203056275 /nfs/dbraw/zinc/05/62/75/203056275.db2.gz YHLDKRUWNXOVDF-CQSZACIVSA-N 1 2 312.402 2.660 40 0 DFABLO c1c[nH]c(-c2cnc([C@H]3CCC[N@@H+]3Cc3cscn3)cn2)n1 ZINC000257334805 203056278 /nfs/dbraw/zinc/05/62/78/203056278.db2.gz YHLDKRUWNXOVDF-CQSZACIVSA-N 1 2 312.402 2.660 40 0 DFABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257313064 203036056 /nfs/dbraw/zinc/03/60/56/203036056.db2.gz UQWHPEYSYSWIRW-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257313064 203036060 /nfs/dbraw/zinc/03/60/60/203036060.db2.gz UQWHPEYSYSWIRW-OAHLLOKOSA-N 1 2 316.430 2.511 40 0 DFABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257318451 203042296 /nfs/dbraw/zinc/04/22/96/203042296.db2.gz VNZJEMKZFNFHPY-INIZCTEOSA-N 1 2 322.416 2.742 40 0 DFABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257318451 203042299 /nfs/dbraw/zinc/04/22/99/203042299.db2.gz VNZJEMKZFNFHPY-INIZCTEOSA-N 1 2 322.416 2.742 40 0 DFABLO CN(C(=O)Cc1ccsc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257324740 203048759 /nfs/dbraw/zinc/04/87/59/203048759.db2.gz WPYRHIVNHOXUNB-HNNXBMFYSA-N 1 2 315.442 2.813 40 0 DFABLO Cc1cccn2cc(CCNC(=O)CCc3ccc(O)cc3)[nH+]c12 ZINC000195563054 399186803 /nfs/dbraw/zinc/18/68/03/399186803.db2.gz SIPLSMBXPJNQMP-UHFFFAOYSA-N 1 2 323.396 2.640 40 0 DFABLO O=C(CCCn1cc[nH+]c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000019656619 182134278 /nfs/dbraw/zinc/13/42/78/182134278.db2.gz YQLZOKDRIDKZPL-UHFFFAOYSA-N 1 2 308.385 2.730 40 0 DFABLO O=C(CSCc1cccc(Cl)c1)NCCCn1cc[nH+]c1 ZINC000020242100 182199762 /nfs/dbraw/zinc/19/97/62/182199762.db2.gz OLJAPNJLMCECKS-UHFFFAOYSA-N 1 2 323.849 2.976 40 0 DFABLO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1noc(C)n1 ZINC000083473697 542502342 /nfs/dbraw/zinc/50/23/42/542502342.db2.gz OLFYGAYVSOPWJE-ZDUSSCGKSA-N 1 2 305.378 2.945 40 0 DFABLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccccc3F)ccc2n1C ZINC000083577635 542502706 /nfs/dbraw/zinc/50/27/06/542502706.db2.gz HUGFZTLQAHAPME-UHFFFAOYSA-N 1 2 319.361 2.822 40 0 DFABLO CC(=O)N1CCN(c2cc(C)c(SC(C)(C)C)c[nH+]2)CC1 ZINC000072223745 257123537 /nfs/dbraw/zinc/12/35/37/257123537.db2.gz AHJSEWGHTNUEPS-UHFFFAOYSA-N 1 2 307.463 2.949 40 0 DFABLO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](C)O ZINC000072224698 257123753 /nfs/dbraw/zinc/12/37/53/257123753.db2.gz HYKYCEBFFKKQTR-CYBMUJFWSA-N 1 2 321.421 2.500 40 0 DFABLO Cc1cc2c(cc1C)C[NH+](CC(=O)NCCc1ccccc1)C2 ZINC000409204181 257220908 /nfs/dbraw/zinc/22/09/08/257220908.db2.gz CVYUSCOQFQMSKO-UHFFFAOYSA-N 1 2 308.425 2.978 40 0 DFABLO COc1cccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000385910 425557734 /nfs/dbraw/zinc/55/77/34/425557734.db2.gz DNNAWPNIEHVNAU-CQSZACIVSA-N 1 2 312.369 2.793 40 0 DFABLO C[NH+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000031924393 425836660 /nfs/dbraw/zinc/83/66/60/425836660.db2.gz UNZDLUPNYDSTFC-UHFFFAOYSA-N 1 2 309.001 2.979 40 0 DFABLO CCCc1ncc(C[N@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072343312 426015962 /nfs/dbraw/zinc/01/59/62/426015962.db2.gz ZXLVXWKCINQVTC-DLBZAZTESA-N 1 2 322.412 2.664 40 0 DFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)cn1 ZINC000072343312 426015963 /nfs/dbraw/zinc/01/59/63/426015963.db2.gz ZXLVXWKCINQVTC-DLBZAZTESA-N 1 2 322.412 2.664 40 0 DFABLO Cc1cccc2cc(C3N4CC5(C)C[NH+]3CC(C)(C4)C5)c(=O)[nH]c12 ZINC000079189938 426190374 /nfs/dbraw/zinc/19/03/74/426190374.db2.gz OINQOHJIBRAJMX-UHFFFAOYSA-N 1 2 323.440 2.883 40 0 DFABLO Cc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)o1 ZINC000096058843 426394356 /nfs/dbraw/zinc/39/43/56/426394356.db2.gz HWZZNEUKPRESJJ-UHFFFAOYSA-N 1 2 316.405 2.512 40 0 DFABLO Cc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)o1 ZINC000096058843 426394360 /nfs/dbraw/zinc/39/43/60/426394360.db2.gz HWZZNEUKPRESJJ-UHFFFAOYSA-N 1 2 316.405 2.512 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccco1)C2 ZINC000096060107 426395242 /nfs/dbraw/zinc/39/52/42/426395242.db2.gz FFXLUSPSERHQIM-HNNXBMFYSA-N 1 2 301.390 2.539 40 0 DFABLO Cn1ncc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccco1)C2 ZINC000096060107 426395245 /nfs/dbraw/zinc/39/52/45/426395245.db2.gz FFXLUSPSERHQIM-HNNXBMFYSA-N 1 2 301.390 2.539 40 0 DFABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccsc1 ZINC000096201249 426405959 /nfs/dbraw/zinc/40/59/59/426405959.db2.gz RAKNZWKCJKBUMK-ZDUSSCGKSA-N 1 2 313.430 2.766 40 0 DFABLO Cc1ccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095534118 426374262 /nfs/dbraw/zinc/37/42/62/426374262.db2.gz AAHQRBGLECGQQH-INIZCTEOSA-N 1 2 312.348 2.879 40 0 DFABLO [NH3+][C@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533959 426374282 /nfs/dbraw/zinc/37/42/82/426374282.db2.gz MNBDCIXZFMWQNI-ZDUSSCGKSA-N 1 2 300.749 2.879 40 0 DFABLO [NH3+][C@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533959 426374284 /nfs/dbraw/zinc/37/42/84/426374284.db2.gz MNBDCIXZFMWQNI-ZDUSSCGKSA-N 1 2 300.749 2.879 40 0 DFABLO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)co1 ZINC000096250557 426411652 /nfs/dbraw/zinc/41/16/52/426411652.db2.gz BTOLSDAYMMHSTF-GVDBMIGSSA-N 1 2 314.385 2.733 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)co1 ZINC000096250557 426411656 /nfs/dbraw/zinc/41/16/56/426411656.db2.gz BTOLSDAYMMHSTF-GVDBMIGSSA-N 1 2 314.385 2.733 40 0 DFABLO Cc1cc2nc([C@@H]([NH2+]Cc3cccnc3)C(C)C)cc(=O)n2[nH]1 ZINC000100217719 426481676 /nfs/dbraw/zinc/48/16/76/426481676.db2.gz DDJXRFWDVOVHOP-KRWDZBQOSA-N 1 2 311.389 2.625 40 0 DFABLO COc1cccc2c(N3CCO[C@H]([C@@H]4CCCO4)C3)cc[nH+]c12 ZINC000195571637 426539638 /nfs/dbraw/zinc/53/96/38/426539638.db2.gz YGXPAWIWSNVOCJ-RDJZCZTQSA-N 1 2 314.385 2.628 40 0 DFABLO c1cc(CN2Cc3c[nH+]cn3[C@H](COCc3ccncc3)C2)co1 ZINC000247954704 426967454 /nfs/dbraw/zinc/96/74/54/426967454.db2.gz LOXHFOHKJLQZBY-SFHVURJKSA-N 1 2 324.384 2.645 40 0 DFABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1F ZINC000328982857 427021805 /nfs/dbraw/zinc/02/18/05/427021805.db2.gz HDDJVVHGBAYBAU-UHFFFAOYSA-N 1 2 302.328 2.794 40 0 DFABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329038636 427032213 /nfs/dbraw/zinc/03/22/13/427032213.db2.gz RTRAQSOYARQXSL-ZDUSSCGKSA-N 1 2 312.417 2.611 40 0 DFABLO C[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329038636 427032217 /nfs/dbraw/zinc/03/22/17/427032217.db2.gz RTRAQSOYARQXSL-ZDUSSCGKSA-N 1 2 312.417 2.611 40 0 DFABLO CNc1nc(Nc2cc(Cl)ccc2OC)cc(C2CC2)[nH+]1 ZINC000329057205 427034058 /nfs/dbraw/zinc/03/40/58/427034058.db2.gz VVULZYGUKWWPKB-UHFFFAOYSA-N 1 2 304.781 2.645 40 0 DFABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)ccc1F ZINC000329050877 427035191 /nfs/dbraw/zinc/03/51/91/427035191.db2.gz UVPUTKNMYAIGSN-LLVKDONJSA-N 1 2 316.380 3.338 40 0 DFABLO Cc1cc(CC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)cc[nH+]1 ZINC000257217857 427313177 /nfs/dbraw/zinc/31/31/77/427313177.db2.gz DAXARQBRZNIBFB-UHFFFAOYSA-N 1 2 311.385 2.586 40 0 DFABLO Cn1ccnc1-c1nccnc1C1CCN(c2cccc[nH+]2)CC1 ZINC000257214093 427313840 /nfs/dbraw/zinc/31/38/40/427313840.db2.gz CKMPIAPTXPFPGM-UHFFFAOYSA-N 1 2 320.400 2.656 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccc3ncccc3c2)[nH+]1 ZINC000257230402 427317794 /nfs/dbraw/zinc/31/77/94/427317794.db2.gz GCEBSIYUIFUHCR-QGZVFWFLSA-N 1 2 308.385 2.840 40 0 DFABLO CCCc1cc(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)no1 ZINC000257242044 427320736 /nfs/dbraw/zinc/32/07/36/427320736.db2.gz IAVHIUOVLFTKDY-GFCCVEGCSA-N 1 2 302.378 2.678 40 0 DFABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)Cc2ccccn2)[nH+]1 ZINC000257252737 427324850 /nfs/dbraw/zinc/32/48/50/427324850.db2.gz JVZBEBSOLYGILD-INIZCTEOSA-N 1 2 320.396 2.944 40 0 DFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257266445 427326855 /nfs/dbraw/zinc/32/68/55/427326855.db2.gz MDATXUAXLZOMLE-CYBMUJFWSA-N 1 2 321.388 2.615 40 0 DFABLO CC(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257258648 427327295 /nfs/dbraw/zinc/32/72/95/427327295.db2.gz KUXOYXFLLVDASP-OAHLLOKOSA-N 1 2 312.421 2.699 40 0 DFABLO CC(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257258648 427327299 /nfs/dbraw/zinc/32/72/99/427327299.db2.gz KUXOYXFLLVDASP-OAHLLOKOSA-N 1 2 312.421 2.699 40 0 DFABLO Cc1nccnc1CC[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000257281609 427333698 /nfs/dbraw/zinc/33/36/98/427333698.db2.gz OQCKYBXUGNBPSW-OAHLLOKOSA-N 1 2 303.431 2.680 40 0 DFABLO Cc1nccnc1CC[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000257281609 427333705 /nfs/dbraw/zinc/33/37/05/427333705.db2.gz OQCKYBXUGNBPSW-OAHLLOKOSA-N 1 2 303.431 2.680 40 0 DFABLO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2noc(C3CC3)n2)cc1F ZINC000192133408 427486497 /nfs/dbraw/zinc/48/64/97/427486497.db2.gz ZOIOJVDSZDBOEX-HIFRSBDPSA-N 1 2 321.327 2.845 40 0 DFABLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(N(C)C)no1)CCC2 ZINC000192764570 427604250 /nfs/dbraw/zinc/60/42/50/427604250.db2.gz WSCBORGCRZCEOF-LLVKDONJSA-N 1 2 321.450 2.664 40 0 DFABLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(N(C)C)no1)CCC2 ZINC000192764570 427604259 /nfs/dbraw/zinc/60/42/59/427604259.db2.gz WSCBORGCRZCEOF-LLVKDONJSA-N 1 2 321.450 2.664 40 0 DFABLO Nc1[nH+]cnc(N2CC[C@@H](Oc3cccc(F)c3)C2)c1Cl ZINC000302841205 427877005 /nfs/dbraw/zinc/87/70/05/427877005.db2.gz LYVLXGWNURZDJO-LLVKDONJSA-N 1 2 308.744 2.509 40 0 DFABLO Nc1nc[nH+]c(N2CC[C@@H](Oc3cccc(F)c3)C2)c1Cl ZINC000302841205 427877009 /nfs/dbraw/zinc/87/70/09/427877009.db2.gz LYVLXGWNURZDJO-LLVKDONJSA-N 1 2 308.744 2.509 40 0 DFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCC2CCCCC2)[nH+]1 ZINC000257299286 301024506 /nfs/dbraw/zinc/02/45/06/301024506.db2.gz RPKOGWZVKMMOHT-OAHLLOKOSA-N 1 2 305.422 2.979 40 0 DFABLO CC(C)C[C@H](NC(=O)Cn1cc[nH+]c1)c1nc2ccccc2[nH]1 ZINC000078965289 185136253 /nfs/dbraw/zinc/13/62/53/185136253.db2.gz BYQHIUGWHCBXDQ-HNNXBMFYSA-N 1 2 311.389 2.663 40 0 DFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)c1nccs1 ZINC000078941419 185132572 /nfs/dbraw/zinc/13/25/72/185132572.db2.gz ZIBAHQFOTNWVFZ-NSHDSACASA-N 1 2 307.423 2.556 40 0 DFABLO CCOCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000079361583 185167223 /nfs/dbraw/zinc/16/72/23/185167223.db2.gz QQSXOGYQDSUIMR-UHFFFAOYSA-N 1 2 300.358 2.949 40 0 DFABLO CO[C@]1(COc2ccccc2C)CC[N@H+](Cc2cc(C)on2)C1 ZINC000585275191 398437865 /nfs/dbraw/zinc/43/78/65/398437865.db2.gz ZPUOQISECUCXOA-GOSISDBHSA-N 1 2 316.401 2.961 40 0 DFABLO CO[C@]1(COc2ccccc2C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC000585275191 398437868 /nfs/dbraw/zinc/43/78/68/398437868.db2.gz ZPUOQISECUCXOA-GOSISDBHSA-N 1 2 316.401 2.961 40 0 DFABLO CC1(C)CCC2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)CO1 ZINC000585292213 398439601 /nfs/dbraw/zinc/43/96/01/398439601.db2.gz YZJLQLRWASCEND-ONEGZZNKSA-N 1 2 303.406 2.621 40 0 DFABLO CC(C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585111970 398433283 /nfs/dbraw/zinc/43/32/83/398433283.db2.gz JNSWFTCPAFCBDI-CYBMUJFWSA-N 1 2 313.401 2.932 40 0 DFABLO CC(C)NC(=O)c1nc2c(o1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585111970 398433284 /nfs/dbraw/zinc/43/32/84/398433284.db2.gz JNSWFTCPAFCBDI-CYBMUJFWSA-N 1 2 313.401 2.932 40 0 DFABLO O=C(C1CCCC1)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111680 398433496 /nfs/dbraw/zinc/43/34/96/398433496.db2.gz ZXCXUBNFRKWWSA-UHFFFAOYSA-N 1 2 310.401 2.520 40 0 DFABLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC=C(C(=O)OC)C1 ZINC000585140528 398435714 /nfs/dbraw/zinc/43/57/14/398435714.db2.gz GNLHGFSAOJTDEI-UHFFFAOYSA-N 1 2 317.385 2.593 40 0 DFABLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC=C(C(=O)OC)C1 ZINC000585140528 398435719 /nfs/dbraw/zinc/43/57/19/398435719.db2.gz GNLHGFSAOJTDEI-UHFFFAOYSA-N 1 2 317.385 2.593 40 0 DFABLO Cn1cc[nH+]c1[C@H](NCc1c(F)cccc1F)C(C)(C)CO ZINC000585142054 398436602 /nfs/dbraw/zinc/43/66/02/398436602.db2.gz NVFIDPOKWMMTCO-AWEZNQCLSA-N 1 2 309.360 2.548 40 0 DFABLO CO[C@@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585273090 398437392 /nfs/dbraw/zinc/43/73/92/398437392.db2.gz AKWXLVMXMLNYAT-SFHVURJKSA-N 1 2 315.417 2.696 40 0 DFABLO CO[C@@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585273090 398437397 /nfs/dbraw/zinc/43/73/97/398437397.db2.gz AKWXLVMXMLNYAT-SFHVURJKSA-N 1 2 315.417 2.696 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072360154 191131642 /nfs/dbraw/zinc/13/16/42/191131642.db2.gz GLHHNGFGKCNGBW-GFCCVEGCSA-N 1 2 304.423 2.925 40 0 DFABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072360154 191131643 /nfs/dbraw/zinc/13/16/43/191131643.db2.gz GLHHNGFGKCNGBW-GFCCVEGCSA-N 1 2 304.423 2.925 40 0 DFABLO CC(=O)Nc1nc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)cs1 ZINC000072369044 191138328 /nfs/dbraw/zinc/13/83/28/191138328.db2.gz ZKDYRQRVELSFAX-GFCCVEGCSA-N 1 2 317.418 2.584 40 0 DFABLO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)n1 ZINC000080628398 192175980 /nfs/dbraw/zinc/17/59/80/192175980.db2.gz LLFQEZLSHYEJPN-MGPQQGTHSA-N 1 2 311.426 2.539 40 0 DFABLO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)n1 ZINC000080628398 192175982 /nfs/dbraw/zinc/17/59/82/192175982.db2.gz LLFQEZLSHYEJPN-MGPQQGTHSA-N 1 2 311.426 2.539 40 0 DFABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000004355241 181101680 /nfs/dbraw/zinc/10/16/80/181101680.db2.gz DLKWQLBJRDEHDN-LLVKDONJSA-N 1 2 323.824 2.969 40 0 DFABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000004355241 181101681 /nfs/dbraw/zinc/10/16/81/181101681.db2.gz DLKWQLBJRDEHDN-LLVKDONJSA-N 1 2 323.824 2.969 40 0 DFABLO CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000195579877 201419513 /nfs/dbraw/zinc/41/95/13/201419513.db2.gz VXAXWDISFPIDFP-LBPRGKRZSA-N 1 2 318.402 2.760 40 0 DFABLO CC(C)n1nccc1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256051606 202923553 /nfs/dbraw/zinc/92/35/53/202923553.db2.gz JVHQYXAPKPIBGA-UHFFFAOYSA-N 1 2 301.316 2.506 40 0 DFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257274282 203002187 /nfs/dbraw/zinc/00/21/87/203002187.db2.gz NKIQSKHZDWHIAS-CQSZACIVSA-N 1 2 320.400 2.954 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)[nH+]1 ZINC000257273706 203002313 /nfs/dbraw/zinc/00/23/13/203002313.db2.gz NHUWZLCBKARNAL-AWEZNQCLSA-N 1 2 301.365 2.806 40 0 DFABLO CN(C(=O)c1ccsc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257275849 203004754 /nfs/dbraw/zinc/00/47/54/203004754.db2.gz NRFCXCCPQNIICZ-CQSZACIVSA-N 1 2 301.415 2.884 40 0 DFABLO O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257303527 203028744 /nfs/dbraw/zinc/02/87/44/203028744.db2.gz SHPBPKJTTIKWSK-MRXNPFEDSA-N 1 2 306.369 2.636 40 0 DFABLO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cscn2)nc2[nH]ccn21 ZINC000257304312 203030563 /nfs/dbraw/zinc/03/05/63/203030563.db2.gz SKZNHTVVQJFKTF-CYBMUJFWSA-N 1 2 315.402 2.619 40 0 DFABLO O=c1cc([C@H]2CCCC[N@H+]2Cc2cscn2)nc2[nH]ccn21 ZINC000257304312 203030566 /nfs/dbraw/zinc/03/05/66/203030566.db2.gz SKZNHTVVQJFKTF-CYBMUJFWSA-N 1 2 315.402 2.619 40 0 DFABLO COc1ccc([C@@H]2CN(C(=O)c3ccsc3)CC[N@@H+]2C)cc1 ZINC000257278571 203007016 /nfs/dbraw/zinc/00/70/16/203007016.db2.gz OCUKFUHTTUPXBA-INIZCTEOSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccc([C@@H]2CN(C(=O)c3ccsc3)CC[N@H+]2C)cc1 ZINC000257278571 203007018 /nfs/dbraw/zinc/00/70/18/203007018.db2.gz OCUKFUHTTUPXBA-INIZCTEOSA-N 1 2 316.426 2.886 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)COc2cccc(F)c2)[nH+]1 ZINC000257282856 203010368 /nfs/dbraw/zinc/01/03/68/203010368.db2.gz OVOXVPODSBEHGK-CQSZACIVSA-N 1 2 303.337 2.600 40 0 DFABLO Cn1ccnc1-c1cncc([C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257287908 203013243 /nfs/dbraw/zinc/01/32/43/203013243.db2.gz PRYCSHQIQBHVFH-AWEZNQCLSA-N 1 2 320.400 2.656 40 0 DFABLO CNC(=O)c1cnc([C@H]2CCCCN2c2cccc[nH+]2)s1 ZINC000257337132 203057289 /nfs/dbraw/zinc/05/72/89/203057289.db2.gz YRNNSDLXEBBHCA-LLVKDONJSA-N 1 2 302.403 2.629 40 0 DFABLO Cc1cc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257311559 203036349 /nfs/dbraw/zinc/03/63/49/203036349.db2.gz UKARTOVKGRGBQJ-GOSISDBHSA-N 1 2 313.401 2.546 40 0 DFABLO Cc1cc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)nc(C)n1 ZINC000257311559 203036352 /nfs/dbraw/zinc/03/63/52/203036352.db2.gz UKARTOVKGRGBQJ-GOSISDBHSA-N 1 2 313.401 2.546 40 0 DFABLO Cn1cccc1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257320772 203046488 /nfs/dbraw/zinc/04/64/88/203046488.db2.gz VYMZBERCAUGSPT-MRXNPFEDSA-N 1 2 306.369 2.619 40 0 DFABLO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257323164 203047557 /nfs/dbraw/zinc/04/75/57/203047557.db2.gz WIZJQNGVLXGYDN-INIZCTEOSA-N 1 2 313.401 2.806 40 0 DFABLO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257323164 203047559 /nfs/dbraw/zinc/04/75/59/203047559.db2.gz WIZJQNGVLXGYDN-INIZCTEOSA-N 1 2 313.401 2.806 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C2)[nH+]1 ZINC000257327967 203050353 /nfs/dbraw/zinc/05/03/53/203050353.db2.gz XDOURLMWYXYXJH-HNNXBMFYSA-N 1 2 320.396 2.906 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257336099 203059021 /nfs/dbraw/zinc/05/90/21/203059021.db2.gz YNDRFFGFLFVSHM-CYBMUJFWSA-N 1 2 316.405 2.545 40 0 DFABLO CC(=O)N1CCc2cc(NCc3ccc[nH+]c3N(C)C)ccc21 ZINC000019019241 182103914 /nfs/dbraw/zinc/10/39/14/182103914.db2.gz CJLUVRZTVVMTAD-UHFFFAOYSA-N 1 2 310.401 2.669 40 0 DFABLO CCN(CC)C(=O)N1CC[N@H+](Cc2cccc(OC)c2)C[C@@H]1C ZINC000019526252 182128062 /nfs/dbraw/zinc/12/80/62/182128062.db2.gz UWWLQQAJGIZHAM-HNNXBMFYSA-N 1 2 319.449 2.663 40 0 DFABLO CCN(CC)C(=O)N1CC[N@@H+](Cc2cccc(OC)c2)C[C@@H]1C ZINC000019526252 182128064 /nfs/dbraw/zinc/12/80/64/182128064.db2.gz UWWLQQAJGIZHAM-HNNXBMFYSA-N 1 2 319.449 2.663 40 0 DFABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCn1cc[nH+]c1 ZINC000022519572 182324538 /nfs/dbraw/zinc/32/45/38/182324538.db2.gz QBTKGEONQKNMMA-MRXNPFEDSA-N 1 2 315.417 2.864 40 0 DFABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000019406542 285216138 /nfs/dbraw/zinc/21/61/38/285216138.db2.gz RHUNZEMCDDCBHQ-UHFFFAOYSA-N 1 2 317.439 2.578 40 0 DFABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000019406542 285216139 /nfs/dbraw/zinc/21/61/39/285216139.db2.gz RHUNZEMCDDCBHQ-UHFFFAOYSA-N 1 2 317.439 2.578 40 0 DFABLO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000197790440 542865915 /nfs/dbraw/zinc/86/59/15/542865915.db2.gz RNXYGWFITTWILC-LBPRGKRZSA-N 1 2 303.793 2.527 40 0 DFABLO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000197790440 542865917 /nfs/dbraw/zinc/86/59/17/542865917.db2.gz RNXYGWFITTWILC-LBPRGKRZSA-N 1 2 303.793 2.527 40 0 DFABLO O=C(Cc1ccccc1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131085693 196138196 /nfs/dbraw/zinc/13/81/96/196138196.db2.gz ZQPCSVFGFQUGCF-OAHLLOKOSA-N 1 2 313.376 2.548 40 0 DFABLO O=C(NCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)cc1 ZINC000007504779 425645522 /nfs/dbraw/zinc/64/55/22/425645522.db2.gz VBKGFPAMULEOAF-UHFFFAOYSA-N 1 2 312.417 2.694 40 0 DFABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000012185029 425722290 /nfs/dbraw/zinc/72/22/90/425722290.db2.gz NJUMYQSZMBSGCF-UHFFFAOYSA-N 1 2 324.211 2.943 40 0 DFABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000012185029 425722293 /nfs/dbraw/zinc/72/22/93/425722293.db2.gz NJUMYQSZMBSGCF-UHFFFAOYSA-N 1 2 324.211 2.943 40 0 DFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)CC[N@@H+]1C ZINC000036131882 425845302 /nfs/dbraw/zinc/84/53/02/425845302.db2.gz XYAHAZWRYUFFES-AWEZNQCLSA-N 1 2 316.426 2.886 40 0 DFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)CC[N@H+]1C ZINC000036131882 425845303 /nfs/dbraw/zinc/84/53/03/425845303.db2.gz XYAHAZWRYUFFES-AWEZNQCLSA-N 1 2 316.426 2.886 40 0 DFABLO CCCc1ncc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000072343311 426014929 /nfs/dbraw/zinc/01/49/29/426014929.db2.gz ZXLVXWKCINQVTC-IAGOWNOFSA-N 1 2 322.412 2.664 40 0 DFABLO CCCc1ncc(C[N@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 ZINC000072343311 426014931 /nfs/dbraw/zinc/01/49/31/426014931.db2.gz ZXLVXWKCINQVTC-IAGOWNOFSA-N 1 2 322.412 2.664 40 0 DFABLO Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000079354304 426192121 /nfs/dbraw/zinc/19/21/21/426192121.db2.gz VWLMBJAYSHKBIG-GJZGRUSLSA-N 1 2 305.809 2.980 40 0 DFABLO Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000079354304 426192124 /nfs/dbraw/zinc/19/21/24/426192124.db2.gz VWLMBJAYSHKBIG-GJZGRUSLSA-N 1 2 305.809 2.980 40 0 DFABLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060272 426395210 /nfs/dbraw/zinc/39/52/10/426395210.db2.gz LBLRKDNVYDPLBH-HNNXBMFYSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2ncn(CC3CC3)c21 ZINC000096060272 426395215 /nfs/dbraw/zinc/39/52/15/426395215.db2.gz LBLRKDNVYDPLBH-HNNXBMFYSA-N 1 2 315.417 2.940 40 0 DFABLO COC[C@@H]1CN(Cc2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060272 426395217 /nfs/dbraw/zinc/39/52/17/426395217.db2.gz LBLRKDNVYDPLBH-HNNXBMFYSA-N 1 2 315.417 2.940 40 0 DFABLO COc1ccc2nc(CO[C@H]3C[N@@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112263 426398872 /nfs/dbraw/zinc/39/88/72/426398872.db2.gz UDSADANIWNCSQW-CJNGLKHVSA-N 1 2 319.380 2.663 40 0 biogenic,in-vitro DFABLO COc1ccc2nc(CO[C@H]3C[N@H+](C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112263 426398874 /nfs/dbraw/zinc/39/88/74/426398874.db2.gz UDSADANIWNCSQW-CJNGLKHVSA-N 1 2 319.380 2.663 40 0 biogenic,in-vitro DFABLO Fc1cnc(N2CCC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096158312 426401675 /nfs/dbraw/zinc/40/16/75/426401675.db2.gz DTLLSARSBYEPNI-KRWDZBQOSA-N 1 2 313.380 2.508 40 0 DFABLO [NH3+][C@@H](c1nnc(-c2ccc(O)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533958 426374164 /nfs/dbraw/zinc/37/41/64/426374164.db2.gz MNBDCIXZFMWQNI-CYBMUJFWSA-N 1 2 300.749 2.879 40 0 DFABLO [NH3+][C@@H](c1nc(-c2ccc(O)cc2)n[nH]1)c1ccc(Cl)cc1 ZINC000095533958 426374167 /nfs/dbraw/zinc/37/41/67/426374167.db2.gz MNBDCIXZFMWQNI-CYBMUJFWSA-N 1 2 300.749 2.879 40 0 DFABLO Cc1ccc(C(=O)N2CCN(CC3CC3)c3[nH+]cccc3C2)o1 ZINC000096198927 426406095 /nfs/dbraw/zinc/40/60/95/426406095.db2.gz DREFBSVYTFJBRT-UHFFFAOYSA-N 1 2 311.385 2.855 40 0 DFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccco1 ZINC000096197850 426406260 /nfs/dbraw/zinc/40/62/60/426406260.db2.gz UXXVXGSSOIQBTI-INIZCTEOSA-N 1 2 301.390 2.632 40 0 DFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccco1 ZINC000096197850 426406264 /nfs/dbraw/zinc/40/62/64/426406264.db2.gz UXXVXGSSOIQBTI-INIZCTEOSA-N 1 2 301.390 2.632 40 0 DFABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cs1 ZINC000096041680 426390228 /nfs/dbraw/zinc/39/02/28/426390228.db2.gz QCALDMCDNCNHJZ-GVDBMIGSSA-N 1 2 316.426 2.954 40 0 DFABLO c1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cs1 ZINC000096041680 426390229 /nfs/dbraw/zinc/39/02/29/426390229.db2.gz QCALDMCDNCNHJZ-GVDBMIGSSA-N 1 2 316.426 2.954 40 0 DFABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccco1 ZINC000096041891 426390306 /nfs/dbraw/zinc/39/03/06/426390306.db2.gz UJOWCVZRPZQNFK-ARFHVFGLSA-N 1 2 318.348 2.625 40 0 DFABLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccco1 ZINC000096041891 426390308 /nfs/dbraw/zinc/39/03/08/426390308.db2.gz UJOWCVZRPZQNFK-ARFHVFGLSA-N 1 2 318.348 2.625 40 0 DFABLO O=C1CCC2(CCN(c3cccc[nH+]3)CC2)N1Cc1cccnc1 ZINC000096228147 426409143 /nfs/dbraw/zinc/40/91/43/426409143.db2.gz VNHCKFDEBUIWNM-UHFFFAOYSA-N 1 2 322.412 2.638 40 0 DFABLO COc1ccc(OC[C@@H](C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225269053 426597583 /nfs/dbraw/zinc/59/75/83/426597583.db2.gz JXYJJJXLLWRKQX-GFCCVEGCSA-N 1 2 317.414 2.844 40 0 DFABLO Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306131557 426913821 /nfs/dbraw/zinc/91/38/21/426913821.db2.gz KIPXNUSOCUTRTN-GOEBONIOSA-N 1 2 319.451 2.812 40 0 DFABLO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306131557 426913826 /nfs/dbraw/zinc/91/38/26/426913826.db2.gz KIPXNUSOCUTRTN-GOEBONIOSA-N 1 2 319.451 2.812 40 0 DFABLO CNc1nc(NCc2ccccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000328963795 427018084 /nfs/dbraw/zinc/01/80/84/427018084.db2.gz BRNIPJGORZSYDF-UHFFFAOYSA-N 1 2 320.396 2.650 40 0 DFABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000328997983 427021033 /nfs/dbraw/zinc/02/10/33/427021033.db2.gz JRBSALXEXNDYAC-UHFFFAOYSA-N 1 2 316.380 3.339 40 0 DFABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)ccc1F ZINC000329050878 427033747 /nfs/dbraw/zinc/03/37/47/427033747.db2.gz UVPUTKNMYAIGSN-NSHDSACASA-N 1 2 316.380 3.338 40 0 DFABLO CC(C)Nc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329067675 427037786 /nfs/dbraw/zinc/03/77/86/427037786.db2.gz YKCFRBIAORHVLB-UHFFFAOYSA-N 1 2 319.412 2.815 40 0 DFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257205427 427309033 /nfs/dbraw/zinc/30/90/33/427309033.db2.gz AYZDIBYVZVICFM-CQSZACIVSA-N 1 2 323.400 2.543 40 0 DFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](Cc2ccccn2)C1 ZINC000257213547 427314054 /nfs/dbraw/zinc/31/40/54/427314054.db2.gz CIAQPSKJPRLRFD-MRXNPFEDSA-N 1 2 312.417 2.540 40 0 DFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccc3ncccc3c2)[nH+]1 ZINC000257230401 427316793 /nfs/dbraw/zinc/31/67/93/427316793.db2.gz GCEBSIYUIFUHCR-KRWDZBQOSA-N 1 2 308.385 2.840 40 0 DFABLO Cc1cnc(Nc2nccc([C@H]3CCCC[N@@H+]3CCO)n2)s1 ZINC000257226419 427317436 /nfs/dbraw/zinc/31/74/36/427317436.db2.gz FKOHVHFDCCDJRU-CYBMUJFWSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1cnc(Nc2nccc([C@H]3CCCC[N@H+]3CCO)n2)s1 ZINC000257226419 427317442 /nfs/dbraw/zinc/31/74/42/427317442.db2.gz FKOHVHFDCCDJRU-CYBMUJFWSA-N 1 2 319.434 2.504 40 0 DFABLO Cc1nc(C[NH+]2CC3(C2)CO[C@@H](Cc2ccc(F)cc2)C3)co1 ZINC000257232178 427318099 /nfs/dbraw/zinc/31/80/99/427318099.db2.gz GJSRFALDDNQIJD-KRWDZBQOSA-N 1 2 316.376 2.956 40 0 DFABLO O=C(c1ccncc1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257246959 427319854 /nfs/dbraw/zinc/31/98/54/427319854.db2.gz IWSUIIPMCUQRAP-UHFFFAOYSA-N 1 2 306.369 2.749 40 0 DFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)[nH+]1 ZINC000257243142 427320756 /nfs/dbraw/zinc/32/07/56/427320756.db2.gz IFPYXDMYBSWKHR-CQSZACIVSA-N 1 2 323.400 2.923 40 0 DFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)/C=C/c2ccncc2)cc[nH+]1 ZINC000257256703 427323960 /nfs/dbraw/zinc/32/39/60/427323960.db2.gz KMMRMSDYPCHFRA-RTRPANQVSA-N 1 2 322.412 2.920 40 0 DFABLO c1nn(C2CCCC2)cc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000257256322 427324740 /nfs/dbraw/zinc/32/47/40/427324740.db2.gz KKZHYVFPZSULFN-GOSISDBHSA-N 1 2 312.417 2.967 40 0 DFABLO c1nn(C2CCCC2)cc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC000257256322 427324748 /nfs/dbraw/zinc/32/47/48/427324748.db2.gz KKZHYVFPZSULFN-GOSISDBHSA-N 1 2 312.417 2.967 40 0 DFABLO CCc1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192136567 427489000 /nfs/dbraw/zinc/48/90/00/427489000.db2.gz IWZAXAVWJKYZNO-DOMZBBRYSA-N 1 2 309.316 2.530 40 0 DFABLO CCNc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000328955815 528000819 /nfs/dbraw/zinc/00/08/19/528000819.db2.gz ACOJRIWOOPEWQH-UHFFFAOYSA-N 1 2 308.307 2.791 40 0 DFABLO CCNc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000328958885 528001116 /nfs/dbraw/zinc/00/11/16/528001116.db2.gz AQJPPYHQGIXTHA-UHFFFAOYSA-N 1 2 308.307 2.791 40 0 DFABLO C[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000078915061 185128432 /nfs/dbraw/zinc/12/84/32/185128432.db2.gz LMTROSFGALRAFP-ZDUSSCGKSA-N 1 2 301.365 2.673 40 0 DFABLO Cc1nnc([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)o1 ZINC000079030939 185147474 /nfs/dbraw/zinc/14/74/74/185147474.db2.gz KWPMTIGQGJAUCK-CYBMUJFWSA-N 1 2 324.494 2.780 40 0 DFABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ccccn2)co1 ZINC000585102653 398432409 /nfs/dbraw/zinc/43/24/09/398432409.db2.gz DYQNRWHSXVKVQM-MRXNPFEDSA-N 1 2 314.385 2.735 40 0 DFABLO Cc1cc(C[N@@H+]2CCC[C@](O)(COc3cccc(C)c3)C2)no1 ZINC000585268954 398437522 /nfs/dbraw/zinc/43/75/22/398437522.db2.gz FOAOPPWLFWCSHP-GOSISDBHSA-N 1 2 316.401 2.697 40 0 DFABLO Cc1cc(C[N@H+]2CCC[C@](O)(COc3cccc(C)c3)C2)no1 ZINC000585268954 398437527 /nfs/dbraw/zinc/43/75/27/398437527.db2.gz FOAOPPWLFWCSHP-GOSISDBHSA-N 1 2 316.401 2.697 40 0 DFABLO CO[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2cn[nH]c2C)C1 ZINC000585274939 398438786 /nfs/dbraw/zinc/43/87/86/398438786.db2.gz RXHRTFJDMONPMZ-QGZVFWFLSA-N 1 2 319.380 2.527 40 0 DFABLO CO[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cn[nH]c2C)C1 ZINC000585274939 398438787 /nfs/dbraw/zinc/43/87/87/398438787.db2.gz RXHRTFJDMONPMZ-QGZVFWFLSA-N 1 2 319.380 2.527 40 0 DFABLO CC(=O)N1CCC[C@@H](Cc2ccnc(-c3c[nH+]c(C)n3C)c2)C1 ZINC000585260988 398437300 /nfs/dbraw/zinc/43/73/00/398437300.db2.gz HOIXFMXECSUJSX-INIZCTEOSA-N 1 2 312.417 2.592 40 0 DFABLO CN1CCN(Cc2[nH+]ccn2CC(F)(F)F)c2ccccc21 ZINC000083881740 192389465 /nfs/dbraw/zinc/38/94/65/192389465.db2.gz TWSINLYBTPFNDU-UHFFFAOYSA-N 1 2 310.323 2.902 40 0 DFABLO COCC(=O)N1CCC[C@@H](c2[nH+]c(C)n3c(C)c(C)sc23)C1 ZINC000072351267 191128530 /nfs/dbraw/zinc/12/85/30/191128530.db2.gz AUNMHQYVWXPMMO-CYBMUJFWSA-N 1 2 321.446 2.673 40 0 DFABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000004355242 181101688 /nfs/dbraw/zinc/10/16/88/181101688.db2.gz DLKWQLBJRDEHDN-NSHDSACASA-N 1 2 323.824 2.969 40 0 DFABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000004355242 181101689 /nfs/dbraw/zinc/10/16/89/181101689.db2.gz DLKWQLBJRDEHDN-NSHDSACASA-N 1 2 323.824 2.969 40 0 DFABLO CSc1ccc(OCC[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000195531480 201399543 /nfs/dbraw/zinc/39/95/43/201399543.db2.gz OFCMIECZYDEYCH-QAJFTPDKSA-N 1 2 313.488 2.629 40 0 DFABLO CSc1ccc(OCC[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000195531480 201399545 /nfs/dbraw/zinc/39/95/45/201399545.db2.gz OFCMIECZYDEYCH-QAJFTPDKSA-N 1 2 313.488 2.629 40 0 DFABLO Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4CC=CC[C@@H]4C3)cn21 ZINC000078942319 399000527 /nfs/dbraw/zinc/00/05/27/399000527.db2.gz JRFWPGSNYIUHKA-HUUCEWRRSA-N 1 2 310.401 2.750 40 0 DFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CS3)no1 ZINC000247894322 202696192 /nfs/dbraw/zinc/69/61/92/202696192.db2.gz GRNOKIWIIXPHCI-CQSZACIVSA-N 1 2 317.414 2.517 40 0 DFABLO CNc1cc([C@H]2CCCN2C(=O)c2cccnc2OC)cc[nH+]1 ZINC000257297217 203021674 /nfs/dbraw/zinc/02/16/74/203021674.db2.gz RGJDHQAGOYXXIX-CQSZACIVSA-N 1 2 312.373 2.504 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2cc(Cl)no2)[nH+]1 ZINC000257305673 203030125 /nfs/dbraw/zinc/03/01/25/203030125.db2.gz SQZLSDRJDCGRHU-LLVKDONJSA-N 1 2 308.769 2.656 40 0 DFABLO Cc1nc(N2CCC3(CO[C@@H](Cc4ccccn4)C3)CC2)cc[nH+]1 ZINC000257307935 203032117 /nfs/dbraw/zinc/03/21/17/203032117.db2.gz TUTTUZVFZIKOFI-KRWDZBQOSA-N 1 2 324.428 2.798 40 0 DFABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257291680 203017230 /nfs/dbraw/zinc/01/72/30/203017230.db2.gz QIDRRZBQIOJVPR-SFHVURJKSA-N 1 2 323.440 2.776 40 0 DFABLO Cc1c[nH]c([C@H]2CCN(C(=O)COc3ccccc3Cl)C2)[nH+]1 ZINC000257294500 203019570 /nfs/dbraw/zinc/01/95/70/203019570.db2.gz QULFBMQQQYPTCX-LBPRGKRZSA-N 1 2 319.792 2.766 40 0 DFABLO COc1ccc(F)cc1C(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257329752 203052292 /nfs/dbraw/zinc/05/22/92/203052292.db2.gz XLJSFTPVGNCRFS-LBPRGKRZSA-N 1 2 317.364 2.886 40 0 DFABLO CNc1cc([C@@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)cc[nH+]1 ZINC000257318735 203042377 /nfs/dbraw/zinc/04/23/77/203042377.db2.gz VPDWZOBKGUDGEZ-LAQIPUCWSA-N 1 2 322.412 2.938 40 0 DFABLO C[C@]1(O)C[N@H+](Cc2nccs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257317835 203043379 /nfs/dbraw/zinc/04/33/79/203043379.db2.gz VLIXHGHOAOUKTL-HOCLYGCPSA-N 1 2 322.405 2.687 40 0 DFABLO C[C@]1(O)C[N@@H+](Cc2nccs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257317835 203043382 /nfs/dbraw/zinc/04/33/82/203043382.db2.gz VLIXHGHOAOUKTL-HOCLYGCPSA-N 1 2 322.405 2.687 40 0 DFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257343709 203065197 /nfs/dbraw/zinc/06/51/97/203065197.db2.gz ZUCQWOBVHONOEG-CYBMUJFWSA-N 1 2 303.431 2.739 40 0 DFABLO Cc1cnc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)s1 ZINC000257344489 203067383 /nfs/dbraw/zinc/06/73/83/203067383.db2.gz ZXMQCTSTLORWOQ-AWEZNQCLSA-N 1 2 318.446 2.834 40 0 DFABLO C[C@H](C(=O)N[C@@H](c1cccs1)c1ccncc1)n1cc[nH+]c1 ZINC000019079783 182103776 /nfs/dbraw/zinc/10/37/76/182103776.db2.gz LUUILBGADXEILX-IUODEOHRSA-N 1 2 312.398 2.806 40 0 DFABLO Cc1cc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2C)[nH]n1 ZINC000019117449 182104934 /nfs/dbraw/zinc/10/49/34/182104934.db2.gz XQNZMIBMBSGTDL-UHFFFAOYSA-N 1 2 309.417 2.903 40 0 DFABLO Cc1cc(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2C)[nH]n1 ZINC000019117449 182104936 /nfs/dbraw/zinc/10/49/36/182104936.db2.gz XQNZMIBMBSGTDL-UHFFFAOYSA-N 1 2 309.417 2.903 40 0 DFABLO Cc1cc2occ(CC(=O)NCCCn3cc[nH+]c3)c2c(C)c1 ZINC000039892669 183022318 /nfs/dbraw/zinc/02/23/18/183022318.db2.gz GXYMBJROVYSFFK-UHFFFAOYSA-N 1 2 311.385 2.995 40 0 DFABLO OC1(c2cccnc2F)CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000019292650 285241732 /nfs/dbraw/zinc/24/17/32/285241732.db2.gz GOAAOVOOKSYKSU-UHFFFAOYSA-N 1 2 322.330 2.983 40 0 DFABLO CCOc1cc([C@@H]([NH3+])c2nc(C(C)(C)C)n[nH]2)ccc1OC ZINC000095534449 257137396 /nfs/dbraw/zinc/13/73/96/257137396.db2.gz AIOMJHLKXGVGDD-CYBMUJFWSA-N 1 2 304.394 2.558 40 0 DFABLO CCOc1cc([C@@H]([NH3+])c2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000095534449 257137397 /nfs/dbraw/zinc/13/73/97/257137397.db2.gz AIOMJHLKXGVGDD-CYBMUJFWSA-N 1 2 304.394 2.558 40 0 DFABLO CC[N@H+](Cc1ccccc1Cl)[C@]1(C)CCS(=O)(=O)C1 ZINC000575421839 543451823 /nfs/dbraw/zinc/45/18/23/543451823.db2.gz RYULYYPNHVMZMZ-CQSZACIVSA-N 1 2 301.839 2.739 40 0 DFABLO CC[N@@H+](Cc1ccccc1Cl)[C@]1(C)CCS(=O)(=O)C1 ZINC000575421839 543451826 /nfs/dbraw/zinc/45/18/26/543451826.db2.gz RYULYYPNHVMZMZ-CQSZACIVSA-N 1 2 301.839 2.739 40 0 DFABLO O=C(CCc1ccccc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130614377 196096245 /nfs/dbraw/zinc/09/62/45/196096245.db2.gz KXSIMMNLPKBCNE-QGZVFWFLSA-N 1 2 309.413 2.799 40 0 DFABLO c1cc(C2=[NH+][C@@H](c3ccncc3)[C@@H](c3ccncc3)N2)ccn1 ZINC000012360673 425722867 /nfs/dbraw/zinc/72/28/67/425722867.db2.gz 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/nfs/dbraw/zinc/23/31/35/426233135.db2.gz KWTURMWDBQYOHE-MRXNPFEDSA-N 1 2 310.401 2.853 40 0 DFABLO CC(C)c1nnc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC000084631260 426241577 /nfs/dbraw/zinc/24/15/77/426241577.db2.gz CGEQFJYYNDLZRX-LBPRGKRZSA-N 1 2 324.425 2.634 40 0 DFABLO CC(C)c1nnc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)o1 ZINC000084631260 426241579 /nfs/dbraw/zinc/24/15/79/426241579.db2.gz CGEQFJYYNDLZRX-LBPRGKRZSA-N 1 2 324.425 2.634 40 0 DFABLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060210 426394995 /nfs/dbraw/zinc/39/49/95/426394995.db2.gz BVKSTIXYCJEGHX-ZDUSSCGKSA-N 1 2 305.447 2.926 40 0 DFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ncn(C)c21 ZINC000096060210 426394996 /nfs/dbraw/zinc/39/49/96/426394996.db2.gz BVKSTIXYCJEGHX-ZDUSSCGKSA-N 1 2 305.447 2.926 40 0 DFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185967 426405055 /nfs/dbraw/zinc/40/50/55/426405055.db2.gz ZJGUVPNBVWRHLI-KURKYZTESA-N 1 2 316.401 2.736 40 0 DFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185967 426405057 /nfs/dbraw/zinc/40/50/57/426405057.db2.gz ZJGUVPNBVWRHLI-KURKYZTESA-N 1 2 316.401 2.736 40 0 DFABLO O=C(CC1CC1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198950 426405953 /nfs/dbraw/zinc/40/59/53/426405953.db2.gz UDFGVOPNZDJNMM-UHFFFAOYSA-N 1 2 322.412 2.626 40 0 DFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 ZINC000096044893 426391340 /nfs/dbraw/zinc/39/13/40/426391340.db2.gz WQFDYEZVEUEUJK-OAHLLOKOSA-N 1 2 301.390 2.539 40 0 DFABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)CC2=CCCCC2)C1 ZINC000096207693 426408405 /nfs/dbraw/zinc/40/84/05/426408405.db2.gz JTDXKZQZBIUFTH-MRXNPFEDSA-N 1 2 317.433 2.769 40 0 DFABLO CN(C)c1nc(-c2cccc(F)c2)nc2c1C[N@H+](CCF)CC2 ZINC000096254099 426411512 /nfs/dbraw/zinc/41/15/12/426411512.db2.gz MIWIFCLJMZTZRI-UHFFFAOYSA-N 1 2 318.371 2.676 40 0 DFABLO CN(C)c1nc(-c2cccc(F)c2)nc2c1C[N@@H+](CCF)CC2 ZINC000096254099 426411515 /nfs/dbraw/zinc/41/15/15/426411515.db2.gz MIWIFCLJMZTZRI-UHFFFAOYSA-N 1 2 318.371 2.676 40 0 DFABLO CC(C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc[nH+]1 ZINC000328973675 427018941 /nfs/dbraw/zinc/01/89/41/427018941.db2.gz FCJBWLFNMBVNKK-ZDUSSCGKSA-N 1 2 312.417 2.913 40 0 DFABLO CC(C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]cn1 ZINC000328973675 427018948 /nfs/dbraw/zinc/01/89/48/427018948.db2.gz FCJBWLFNMBVNKK-ZDUSSCGKSA-N 1 2 312.417 2.913 40 0 DFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1F ZINC000328973624 427018984 /nfs/dbraw/zinc/01/89/84/427018984.db2.gz FBHXMOGYDRAODJ-UHFFFAOYSA-N 1 2 316.380 2.909 40 0 DFABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329038635 427029560 /nfs/dbraw/zinc/02/95/60/427029560.db2.gz RTRAQSOYARQXSL-CYBMUJFWSA-N 1 2 312.417 2.611 40 0 DFABLO C[C@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329038635 427029564 /nfs/dbraw/zinc/02/95/64/427029564.db2.gz RTRAQSOYARQXSL-CYBMUJFWSA-N 1 2 312.417 2.611 40 0 DFABLO CCNc1nc(Nc2ccc(OC)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329031741 427031179 /nfs/dbraw/zinc/03/11/79/427031179.db2.gz QKTZHWDVJHRPKK-UHFFFAOYSA-N 1 2 302.353 2.521 40 0 DFABLO COc1ncccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248742895 427037446 /nfs/dbraw/zinc/03/74/46/427037446.db2.gz RNPHVNOFGLCSDY-CJNGLKHVSA-N 1 2 320.339 2.676 40 0 DFABLO COc1ncccc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248742895 427037450 /nfs/dbraw/zinc/03/74/50/427037450.db2.gz RNPHVNOFGLCSDY-CJNGLKHVSA-N 1 2 320.339 2.676 40 0 DFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(F)cc(F)c2)[nH+]1 ZINC000257215413 427312565 /nfs/dbraw/zinc/31/25/65/427312565.db2.gz CPZPKWMORWYJQJ-CQSZACIVSA-N 1 2 305.328 2.984 40 0 DFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257232284 427316724 /nfs/dbraw/zinc/31/67/24/427316724.db2.gz GKEIZOYRGVCQSO-OAHLLOKOSA-N 1 2 323.400 2.662 40 0 DFABLO CNc1ncccc1C[N@@H+]1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257242688 427319698 /nfs/dbraw/zinc/31/96/98/427319698.db2.gz IDSGQUVAOGCUQD-GOSISDBHSA-N 1 2 324.428 2.529 40 0 DFABLO CNc1ncccc1C[N@H+]1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257242688 427319700 /nfs/dbraw/zinc/31/97/00/427319700.db2.gz IDSGQUVAOGCUQD-GOSISDBHSA-N 1 2 324.428 2.529 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257243045 427320335 /nfs/dbraw/zinc/32/03/35/427320335.db2.gz IFGZICJBNCXJQY-ZDUSSCGKSA-N 1 2 309.373 2.614 40 0 DFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2nc(C(C)C)no2)[nH+]1 ZINC000257242649 427321840 /nfs/dbraw/zinc/32/18/40/427321840.db2.gz IDMHANLZMUETCT-GFCCVEGCSA-N 1 2 317.393 2.521 40 0 DFABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)Cc2ccccn2)[nH+]1 ZINC000257252738 427324883 /nfs/dbraw/zinc/32/48/83/427324883.db2.gz JVZBEBSOLYGILD-MRXNPFEDSA-N 1 2 320.396 2.944 40 0 DFABLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2 ZINC000192777942 427608916 /nfs/dbraw/zinc/60/89/16/427608916.db2.gz SKLGJXRGPISLJN-GFCCVEGCSA-N 1 2 300.406 2.865 40 0 DFABLO C[NH+]1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027865965 290317423 /nfs/dbraw/zinc/31/74/23/290317423.db2.gz PGINMPJZCWDQNT-HUUCEWRRSA-N 1 2 323.348 2.970 40 0 DFABLO CCOC(=O)[C@H](Sc1nc(N)cc(C)[nH+]1)c1ccccc1 ZINC000192974132 323250282 /nfs/dbraw/zinc/25/02/82/323250282.db2.gz HZDUMAJXEDZOOK-CYBMUJFWSA-N 1 2 303.387 2.764 40 0 DFABLO Cc1cc(F)cc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193608079 323256628 /nfs/dbraw/zinc/25/66/28/323256628.db2.gz HZDBASHCTSIDFM-INIZCTEOSA-N 1 2 306.381 2.716 40 0 DFABLO Cc1cc(F)cc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193608079 323256630 /nfs/dbraw/zinc/25/66/30/323256630.db2.gz HZDBASHCTSIDFM-INIZCTEOSA-N 1 2 306.381 2.716 40 0 DFABLO