smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938506 545575525 /nfs/dbraw/zinc/57/55/25/545575525.db2.gz WEWUHPLPGOUVOP-RYUDHWBXSA-N 1 2 272.348 2.862 40 0 CFABLO [NH3+][C@H](c1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533374 185005534 /nfs/dbraw/zinc/00/55/34/185005534.db2.gz CBXATTFVSUQOHV-ZDUSSCGKSA-N 1 2 268.295 2.659 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)c1 ZINC000095533575 185005598 /nfs/dbraw/zinc/00/55/98/185005598.db2.gz IGUAHHXOQSUTNY-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)c1 ZINC000095533575 185005600 /nfs/dbraw/zinc/00/56/00/185005600.db2.gz IGUAHHXOQSUTNY-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000095534719 185006551 /nfs/dbraw/zinc/00/65/51/185006551.db2.gz IPFODOVRLSRIQJ-SNVBAGLBSA-N 1 2 250.733 2.781 40 0 CFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000095533716 185006952 /nfs/dbraw/zinc/00/69/52/185006952.db2.gz DVSIIOQRXVUXMO-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095534075 185007581 /nfs/dbraw/zinc/00/75/81/185007581.db2.gz STIDPWDKSOBSKL-MRXNPFEDSA-N 1 2 294.358 2.740 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044812 185071204 /nfs/dbraw/zinc/07/12/04/185071204.db2.gz XDNOEJRRSTXRGI-ZDUSSCGKSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044812 185071206 /nfs/dbraw/zinc/07/12/06/185071206.db2.gz XDNOEJRRSTXRGI-ZDUSSCGKSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1CN(Cc2ccsc2)Cc2[nH+]cn(C)c21 ZINC000096044812 185071208 /nfs/dbraw/zinc/07/12/08/185071208.db2.gz XDNOEJRRSTXRGI-ZDUSSCGKSA-N 1 2 291.420 2.618 40 0 CFABLO O=C(CCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000085473352 179077893 /nfs/dbraw/zinc/07/78/93/179077893.db2.gz HMTSNPXAZGRFEU-UHFFFAOYSA-N 1 2 293.164 2.848 40 0 CFABLO CCn1cc(-c2c[nH+]cn2CCCC(C)(C)CO)cn1 ZINC000019719606 372180791 /nfs/dbraw/zinc/18/07/91/372180791.db2.gz IFTUNODEDXAWOF-UHFFFAOYSA-N 1 2 276.384 2.565 40 0 CFABLO Cc1c(C)c2c(cc1Br)C(=O)[C@H]([NH+](C)C)CO2 ZINC000055125436 291538749 /nfs/dbraw/zinc/53/87/49/291538749.db2.gz OBMRTHJRGCUDFF-LLVKDONJSA-N 1 2 298.180 2.571 40 0 CFABLO CCOC(=O)c1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)cc1 ZINC000049467637 373299355 /nfs/dbraw/zinc/29/93/55/373299355.db2.gz CLAHTXOGJRVZDW-UHFFFAOYSA-N 1 2 298.346 2.857 40 0 CFABLO COc1ccc(Nc2cc(N)nc(SC)[nH+]2)cc1 ZINC000049467400 373299900 /nfs/dbraw/zinc/29/99/00/373299900.db2.gz JMHZZJDWXAYKTH-UHFFFAOYSA-N 1 2 262.338 2.533 40 0 CFABLO COc1ccc(Nc2cc(N)[nH+]c(SC)n2)cc1 ZINC000049467400 373299909 /nfs/dbraw/zinc/29/99/09/373299909.db2.gz JMHZZJDWXAYKTH-UHFFFAOYSA-N 1 2 262.338 2.533 40 0 CFABLO Cc1cc(C2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000072356598 374247240 /nfs/dbraw/zinc/24/72/40/374247240.db2.gz WQCQLJFRAPXCPH-UHFFFAOYSA-N 1 2 254.337 2.564 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000256051920 190003427 /nfs/dbraw/zinc/00/34/27/190003427.db2.gz LBSBFVDDBQSXEQ-UHFFFAOYSA-N 1 2 265.307 2.861 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257233841 190016881 /nfs/dbraw/zinc/01/68/81/190016881.db2.gz GQZANLNWIUENSN-NSHDSACASA-N 1 2 275.377 2.718 40 0 CFABLO CNc1cc([C@H]2CCCN2Cc2nccs2)[nH+]c(C)n1 ZINC000257218549 190014304 /nfs/dbraw/zinc/01/43/04/190014304.db2.gz DDNQCYCRARGRQQ-GFCCVEGCSA-N 1 2 289.408 2.620 40 0 CFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2nccs2)nc(C)n1 ZINC000257218549 190014305 /nfs/dbraw/zinc/01/43/05/190014305.db2.gz DDNQCYCRARGRQQ-GFCCVEGCSA-N 1 2 289.408 2.620 40 0 CFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2nccs2)nc(C)n1 ZINC000257218549 190014306 /nfs/dbraw/zinc/01/43/06/190014306.db2.gz DDNQCYCRARGRQQ-GFCCVEGCSA-N 1 2 289.408 2.620 40 0 CFABLO COc1ccc(C[C@H]2C[N@H+](Cc3ccccn3)CCO2)cc1 ZINC000257254653 190020867 /nfs/dbraw/zinc/02/08/67/190020867.db2.gz KECSFFGJTDSDQB-SFHVURJKSA-N 1 2 298.386 2.534 40 0 CFABLO COc1ccc(C[C@H]2C[N@@H+](Cc3ccccn3)CCO2)cc1 ZINC000257254653 190020868 /nfs/dbraw/zinc/02/08/68/190020868.db2.gz KECSFFGJTDSDQB-SFHVURJKSA-N 1 2 298.386 2.534 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257327910 190034603 /nfs/dbraw/zinc/03/46/03/190034603.db2.gz XDHYDCCBQUTWOM-HNNXBMFYSA-N 1 2 283.375 2.585 40 0 CFABLO Cc1c[nH]nc1[C@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC000257327081 190034666 /nfs/dbraw/zinc/03/46/66/190034666.db2.gz WZWDXGIHMOHHHJ-MRXNPFEDSA-N 1 2 285.391 2.724 40 0 CFABLO Cc1c[nH]nc1[C@H]1COCC[N@H+]1CCCc1ccccc1 ZINC000257327081 190034667 /nfs/dbraw/zinc/03/46/67/190034667.db2.gz WZWDXGIHMOHHHJ-MRXNPFEDSA-N 1 2 285.391 2.724 40 0 CFABLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2ccn3nccc3n2)no1 ZINC000257340353 190036948 /nfs/dbraw/zinc/03/69/48/190036948.db2.gz ZFPXCGFXJQOJMP-OAHLLOKOSA-N 1 2 297.362 2.753 40 0 CFABLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2ccn3nccc3n2)no1 ZINC000257340353 190036949 /nfs/dbraw/zinc/03/69/49/190036949.db2.gz ZFPXCGFXJQOJMP-OAHLLOKOSA-N 1 2 297.362 2.753 40 0 CFABLO CN(CCNC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000225572652 382818653 /nfs/dbraw/zinc/81/86/53/382818653.db2.gz MWDOLYYYGUYFGS-UHFFFAOYSA-N 1 2 286.404 2.504 40 0 CFABLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257221250 383492784 /nfs/dbraw/zinc/49/27/84/383492784.db2.gz DOCRZVUFYYNVMC-OAHLLOKOSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257221250 383492789 /nfs/dbraw/zinc/49/27/89/383492789.db2.gz DOCRZVUFYYNVMC-OAHLLOKOSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cc(N2CCC[C@H](c3cc[nH+]c(C)c3)C2)ncn1 ZINC000257342299 383494578 /nfs/dbraw/zinc/49/45/78/383494578.db2.gz ZOBCSWKLORGAPX-HNNXBMFYSA-N 1 2 268.364 2.872 40 0 CFABLO Cc1nc(N2CCC[C@H](c3nccs3)C2)cc[nH+]1 ZINC000257324016 383494714 /nfs/dbraw/zinc/49/47/14/383494714.db2.gz WMVBOSUMJNAMAD-NSHDSACASA-N 1 2 260.366 2.626 40 0 CFABLO CC(C)Nc1cc(N2CCc3ccccc3C2)nc[nH+]1 ZINC000258626696 383499092 /nfs/dbraw/zinc/49/90/92/383499092.db2.gz DILRPSWBWOUZIT-UHFFFAOYSA-N 1 2 268.364 2.860 40 0 CFABLO CC(C)Nc1cc(N2CCc3ccccc3C2)[nH+]cn1 ZINC000258626696 383499095 /nfs/dbraw/zinc/49/90/95/383499095.db2.gz DILRPSWBWOUZIT-UHFFFAOYSA-N 1 2 268.364 2.860 40 0 CFABLO Cn1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c(C(C)(C)C)n1 ZINC000283214467 385446572 /nfs/dbraw/zinc/44/65/72/385446572.db2.gz ZJZUOBYMQYQXOI-UHFFFAOYSA-N 1 2 297.362 2.618 40 0 CFABLO CCN(C)c1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212750 393643834 /nfs/dbraw/zinc/64/38/34/393643834.db2.gz MNPDLKUFXHLTJG-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072213452 393643904 /nfs/dbraw/zinc/64/39/04/393643904.db2.gz QYYPCQYRCBISAK-GXTWGEPZSA-N 1 2 261.369 2.975 40 0 CFABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072213451 393644032 /nfs/dbraw/zinc/64/40/32/393644032.db2.gz QYYPCQYRCBISAK-TZMCWYRMSA-N 1 2 261.369 2.975 40 0 CFABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216135 393645526 /nfs/dbraw/zinc/64/55/26/393645526.db2.gz ITODBNMUQLGPMY-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO Cc1cc(SC(C)(C)C)c[nH+]c1N1CCN(C=O)CC1 ZINC000072222651 393646488 /nfs/dbraw/zinc/64/64/88/393646488.db2.gz VNNSCZRHNPOBOI-UHFFFAOYSA-N 1 2 293.436 2.559 40 0 CFABLO Cc1c[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000095635185 393812513 /nfs/dbraw/zinc/81/25/13/393812513.db2.gz USNVYNMHOCZYEK-UHFFFAOYSA-N 1 2 265.357 2.833 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1 ZINC000095534111 393813092 /nfs/dbraw/zinc/81/30/92/393813092.db2.gz SPVPJYNFLGWHCO-MRXNPFEDSA-N 1 2 293.374 2.773 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1 ZINC000095534111 393813094 /nfs/dbraw/zinc/81/30/94/393813094.db2.gz SPVPJYNFLGWHCO-MRXNPFEDSA-N 1 2 293.374 2.773 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1 ZINC000095534111 393813098 /nfs/dbraw/zinc/81/30/98/393813098.db2.gz SPVPJYNFLGWHCO-MRXNPFEDSA-N 1 2 293.374 2.773 40 0 CFABLO CC[N@@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384596 176388544 /nfs/dbraw/zinc/38/85/44/176388544.db2.gz QFPVLRVUMDTSLV-NSHDSACASA-N 1 2 275.381 2.834 40 0 CFABLO CC[N@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384596 176388545 /nfs/dbraw/zinc/38/85/45/176388545.db2.gz QFPVLRVUMDTSLV-NSHDSACASA-N 1 2 275.381 2.834 40 0 CFABLO CC(=O)Nc1cc([NH+]2CCC(C)CC2)c(C)cc1N ZINC000216864392 262341128 /nfs/dbraw/zinc/34/11/28/262341128.db2.gz QNQCZTKMLBNEGX-UHFFFAOYSA-N 1 2 261.369 2.772 40 0 CFABLO Cc1cccc([C@@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000072356615 281252543 /nfs/dbraw/zinc/25/25/43/281252543.db2.gz RDUKWSGKDLGJLV-CYBMUJFWSA-N 1 2 254.337 2.564 40 0 CFABLO Nc1ncc2c(n1)-c1ccccc1O[C@@H]2[NH+]1CCCCC1 ZINC000067957580 295371634 /nfs/dbraw/zinc/37/16/34/295371634.db2.gz OKSNODVNMLYPCC-HNNXBMFYSA-N 1 2 282.347 2.603 40 0 CFABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329062927 525803169 /nfs/dbraw/zinc/80/31/69/525803169.db2.gz XAUBGJHGRJMCRF-UHFFFAOYSA-N 1 2 298.365 2.963 40 0 CFABLO CC[C@@H](C)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000329065660 570338213 /nfs/dbraw/zinc/33/82/13/570338213.db2.gz XTJGNLCPSUUHQI-LLVKDONJSA-N 1 2 298.390 2.857 40 0 CFABLO Cc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533466 185005850 /nfs/dbraw/zinc/00/58/50/185005850.db2.gz PXOMJRFYQZJQLQ-CQSZACIVSA-N 1 2 264.332 2.828 40 0 CFABLO COc1cccc(-c2nc([C@@H]([NH3+])c3ccc(C)cc3)n[nH]2)c1 ZINC000095534092 185006375 /nfs/dbraw/zinc/00/63/75/185006375.db2.gz QHBVDEAZTKRFAG-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533248 185006461 /nfs/dbraw/zinc/00/64/61/185006461.db2.gz DCSZZGCYRWSQAG-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533248 185006463 /nfs/dbraw/zinc/00/64/63/185006463.db2.gz DCSZZGCYRWSQAG-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO [NH3+][C@@H](c1nnc(-c2ccncc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533929 185007203 /nfs/dbraw/zinc/00/72/03/185007203.db2.gz HVCZUFQFIUSUON-GFCCVEGCSA-N 1 2 285.738 2.568 40 0 CFABLO [NH3+][C@@H](c1n[nH]c(-c2ccncc2)n1)c1ccc(Cl)cc1 ZINC000095533929 185007205 /nfs/dbraw/zinc/00/72/05/185007205.db2.gz HVCZUFQFIUSUON-GFCCVEGCSA-N 1 2 285.738 2.568 40 0 CFABLO COC(=O)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000095738947 185024233 /nfs/dbraw/zinc/02/42/33/185024233.db2.gz SOFOQYYSUXHZOF-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO COc1cccc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000109827883 186275814 /nfs/dbraw/zinc/27/58/14/186275814.db2.gz YNZPCHRZVNOUOB-CQSZACIVSA-N 1 2 257.337 2.755 40 0 CFABLO COc1cccc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)c1 ZINC000109827883 186275816 /nfs/dbraw/zinc/27/58/16/186275816.db2.gz YNZPCHRZVNOUOB-CQSZACIVSA-N 1 2 257.337 2.755 40 0 CFABLO CNc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328959969 202131279 /nfs/dbraw/zinc/13/12/79/202131279.db2.gz AVXRPAUFVRLXHL-UHFFFAOYSA-N 1 2 276.343 2.773 40 0 CFABLO CCNc1nc(Nc2cccc(C)c2C)cc(C2CC2)[nH+]1 ZINC000329024314 202157541 /nfs/dbraw/zinc/15/75/41/202157541.db2.gz OZAATJDCHHTJQI-UHFFFAOYSA-N 1 2 282.391 2.990 40 0 CFABLO CCNc1cc(-c2ccncc2)[nH+]c(NC2CCCCC2)n1 ZINC000329029775 202158729 /nfs/dbraw/zinc/15/87/29/202158729.db2.gz QBCZRDDRGOELDO-UHFFFAOYSA-N 1 2 297.406 2.559 40 0 CFABLO C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1 ZINC000000000410 371507776 /nfs/dbraw/zinc/50/77/76/371507776.db2.gz HQBZLVPZOGIAIQ-DPZKZMLUSA-N 1 2 285.387 2.967 40 0 CFABLO C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000000000410 371507778 /nfs/dbraw/zinc/50/77/78/371507778.db2.gz HQBZLVPZOGIAIQ-DPZKZMLUSA-N 1 2 285.387 2.967 40 0 CFABLO c1coc(CNc2cc(NCc3ccco3)[nH+]cn2)c1 ZINC000001736380 371705122 /nfs/dbraw/zinc/70/51/22/371705122.db2.gz WABWETOIUUWYLQ-UHFFFAOYSA-N 1 2 270.292 2.887 40 0 CFABLO CCc1c(N)[nH+]c(N)nc1Nc1ccccc1Cl ZINC000001682333 371697299 /nfs/dbraw/zinc/69/72/99/371697299.db2.gz PNERMSXSACGVGB-UHFFFAOYSA-N 1 2 263.732 2.600 40 0 CFABLO C[NH+](C)c1ccc(N[C@@H]2COc3ccccc3C2=O)cc1 ZINC000004715129 371874189 /nfs/dbraw/zinc/87/41/89/371874189.db2.gz VMYIUKDCEIZFMP-OAHLLOKOSA-N 1 2 282.343 2.808 40 0 CFABLO CC(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012114988 371946466 /nfs/dbraw/zinc/94/64/66/371946466.db2.gz BJQQBOBEESGJAC-CYBMUJFWSA-N 1 2 293.317 2.560 40 0 CFABLO Cc1cc(C)[nH+]c(C[C@@H](O)c2ccc(C=O)cc2)c1 ZINC000013221084 372020124 /nfs/dbraw/zinc/02/01/24/372020124.db2.gz OSUIHIHSYGPSCR-MRXNPFEDSA-N 1 2 255.317 2.787 40 0 CFABLO Cc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000013837258 372051739 /nfs/dbraw/zinc/05/17/39/372051739.db2.gz DIXPWLGBQUWSJO-UHFFFAOYSA-N 1 2 257.362 2.877 40 0 CFABLO Cc1[nH+]c(C2CCN(C(=O)C3CC3)CC2)c2sccn12 ZINC000019240797 372151337 /nfs/dbraw/zinc/15/13/37/372151337.db2.gz OWHGPBXAYWJSNE-UHFFFAOYSA-N 1 2 289.404 2.820 40 0 CFABLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019586557 372175499 /nfs/dbraw/zinc/17/54/99/372175499.db2.gz UOUNDDKBNDTNES-UHFFFAOYSA-N 1 2 252.321 2.590 40 0 CFABLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccccn1 ZINC000019586557 372175503 /nfs/dbraw/zinc/17/55/03/372175503.db2.gz UOUNDDKBNDTNES-UHFFFAOYSA-N 1 2 252.321 2.590 40 0 CFABLO O=C1N2CC[NH+]=C2c2ccccc2N1CCc1ccccc1 ZINC000040385444 372782672 /nfs/dbraw/zinc/78/26/72/372782672.db2.gz NGYIEILYGJZWNS-UHFFFAOYSA-N 1 2 291.354 2.932 40 0 CFABLO Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000041096395 372813074 /nfs/dbraw/zinc/81/30/74/372813074.db2.gz SDFBSFZBCHVDRO-UHFFFAOYSA-N 1 2 282.752 2.844 40 0 CFABLO C[C@H]1CN(c2ccc3cccc(O)c3[nH+]2)C[C@H](C)O1 ZINC000041669558 372857034 /nfs/dbraw/zinc/85/70/34/372857034.db2.gz MANYOXWVVOSUSO-QWRGUYRKSA-N 1 2 258.321 2.554 40 0 CFABLO CSc1nc(Nc2cccc(C(C)=O)c2)cc(N)[nH+]1 ZINC000049467424 373299478 /nfs/dbraw/zinc/29/94/78/373299478.db2.gz GQZQYRBRJJUWPE-UHFFFAOYSA-N 1 2 274.349 2.727 40 0 CFABLO CSc1nc(N)cc(Nc2cccc(C(C)=O)c2)[nH+]1 ZINC000049467424 373299483 /nfs/dbraw/zinc/29/94/83/373299483.db2.gz GQZQYRBRJJUWPE-UHFFFAOYSA-N 1 2 274.349 2.727 40 0 CFABLO COc1ccc(Nc2cc(N)[nH+]c(SC)n2)c(OC)c1 ZINC000049467442 373300071 /nfs/dbraw/zinc/30/00/71/373300071.db2.gz PVKHYNCFEQCKIL-UHFFFAOYSA-N 1 2 292.364 2.542 40 0 CFABLO Nc1nc2c(c[nH+]1)c1ccncc1n2C1CCCC1 ZINC000087493452 374823652 /nfs/dbraw/zinc/82/36/52/374823652.db2.gz FLUPFKUBVXWPFJ-UHFFFAOYSA-N 1 2 253.309 2.677 40 0 CFABLO CC(C)[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096222068 375479381 /nfs/dbraw/zinc/47/93/81/375479381.db2.gz OIVHEWUCAQBWQM-TZMCWYRMSA-N 1 2 281.425 2.565 40 0 CFABLO CC(C)[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096222068 375479387 /nfs/dbraw/zinc/47/93/87/375479387.db2.gz OIVHEWUCAQBWQM-TZMCWYRMSA-N 1 2 281.425 2.565 40 0 CFABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256049807 190003192 /nfs/dbraw/zinc/00/31/92/190003192.db2.gz BNAAILJNZJDHBD-ZDUSSCGKSA-N 1 2 275.400 2.921 40 0 CFABLO c1ccc(N2C[C@@H]3[C@@H](Cc4cnccn4)CC[C@@H]3C2)[nH+]c1 ZINC000257204727 190011147 /nfs/dbraw/zinc/01/11/47/190011147.db2.gz AWAVRYIKEHVGPB-IIAWOOMASA-N 1 2 280.375 2.577 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257221189 190014562 /nfs/dbraw/zinc/01/45/62/190014562.db2.gz DNWOUAWUZRSXPT-LBPRGKRZSA-N 1 2 275.377 2.686 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257234191 190017411 /nfs/dbraw/zinc/01/74/11/190017411.db2.gz GSNHYCRTQWTHEC-OAHLLOKOSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257234191 190017412 /nfs/dbraw/zinc/01/74/12/190017412.db2.gz GSNHYCRTQWTHEC-OAHLLOKOSA-N 1 2 299.374 2.796 40 0 CFABLO c1csc(C[N@@H+]2CCCC[C@H]2c2ccn3ccnc3n2)n1 ZINC000257237489 190017775 /nfs/dbraw/zinc/01/77/75/190017775.db2.gz HGRLRNCRUFDSDO-ZDUSSCGKSA-N 1 2 299.403 2.913 40 0 CFABLO c1csc(C[N@H+]2CCCC[C@H]2c2ccn3ccnc3n2)n1 ZINC000257237489 190017776 /nfs/dbraw/zinc/01/77/76/190017776.db2.gz HGRLRNCRUFDSDO-ZDUSSCGKSA-N 1 2 299.403 2.913 40 0 CFABLO Cc1nc(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cs1 ZINC000257255693 190021134 /nfs/dbraw/zinc/02/11/34/190021134.db2.gz KIMPJTNVFOPKPN-GFCCVEGCSA-N 1 2 276.409 2.629 40 0 CFABLO Cc1nc(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cs1 ZINC000257255693 190021135 /nfs/dbraw/zinc/02/11/35/190021135.db2.gz KIMPJTNVFOPKPN-GFCCVEGCSA-N 1 2 276.409 2.629 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3sccc3C)C2)[nH+]1 ZINC000257281064 190026364 /nfs/dbraw/zinc/02/63/64/190026364.db2.gz ONLXIRNMJXJVOM-NSHDSACASA-N 1 2 275.377 2.718 40 0 CFABLO COc1ccccc1CC(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257283144 190026550 /nfs/dbraw/zinc/02/65/50/190026550.db2.gz OWXAZQWFRRGITL-AWEZNQCLSA-N 1 2 299.374 2.633 40 0 CFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257292049 190027474 /nfs/dbraw/zinc/02/74/74/190027474.db2.gz QJSXXRUPNJMDDI-LBPRGKRZSA-N 1 2 274.393 2.917 40 0 CFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257292049 190027475 /nfs/dbraw/zinc/02/74/75/190027475.db2.gz QJSXXRUPNJMDDI-LBPRGKRZSA-N 1 2 274.393 2.917 40 0 CFABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1ccncn1 ZINC000257320919 190033734 /nfs/dbraw/zinc/03/37/34/190033734.db2.gz VZGRKIHNPPGQOF-HNNXBMFYSA-N 1 2 285.395 2.810 40 0 CFABLO CC(C)[NH+]1CCC(Cc2cncc(-c3cc[nH]n3)n2)CC1 ZINC000257326045 190033984 /nfs/dbraw/zinc/03/39/84/190033984.db2.gz WVNXZXVXPASLKF-UHFFFAOYSA-N 1 2 285.395 2.530 40 0 CFABLO CCCCc1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c[nH]1 ZINC000257323987 190034128 /nfs/dbraw/zinc/03/41/28/190034128.db2.gz WMSALHCCZNVNFZ-CYBMUJFWSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c[nH]1 ZINC000257323987 190034129 /nfs/dbraw/zinc/03/41/29/190034129.db2.gz WMSALHCCZNVNFZ-CYBMUJFWSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH]1 ZINC000257323987 190034130 /nfs/dbraw/zinc/03/41/30/190034130.db2.gz WMSALHCCZNVNFZ-CYBMUJFWSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1ncc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)[nH]1 ZINC000257323987 190034131 /nfs/dbraw/zinc/03/41/31/190034131.db2.gz WMSALHCCZNVNFZ-CYBMUJFWSA-N 1 2 287.411 2.855 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)C=Cc3ccccc3)C2)[nH+]1 ZINC000257325441 190034293 /nfs/dbraw/zinc/03/42/93/190034293.db2.gz WSYOIRYIWYPHCY-MVGZEHJDSA-N 1 2 281.359 2.747 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257333794 190035836 /nfs/dbraw/zinc/03/58/36/190035836.db2.gz YDBRDHAIURBUIH-LLVKDONJSA-N 1 2 290.392 2.503 40 0 CFABLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)n1 ZINC000257334450 190036412 /nfs/dbraw/zinc/03/64/12/190036412.db2.gz YFYAVNISTGANEG-OAHLLOKOSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)n1 ZINC000257334450 190036413 /nfs/dbraw/zinc/03/64/13/190036413.db2.gz YFYAVNISTGANEG-OAHLLOKOSA-N 1 2 256.353 2.840 40 0 CFABLO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000329029811 378447586 /nfs/dbraw/zinc/44/75/86/378447586.db2.gz QBVJQASSVXIBPH-LBPRGKRZSA-N 1 2 268.364 2.860 40 0 CFABLO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]cn1 ZINC000329029811 378447587 /nfs/dbraw/zinc/44/75/87/378447587.db2.gz QBVJQASSVXIBPH-LBPRGKRZSA-N 1 2 268.364 2.860 40 0 CFABLO Fc1cccc(F)c1NC(=S)NCCCn1cc[nH+]c1 ZINC000225521084 382817515 /nfs/dbraw/zinc/81/75/15/382817515.db2.gz JXAIGJJIUUYLHP-UHFFFAOYSA-N 1 2 296.346 2.538 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc(NCC(C)C)[nH+]c1 ZINC000072213308 256712443 /nfs/dbraw/zinc/71/24/43/256712443.db2.gz VLKVMNFLUPVJSS-CQSZACIVSA-N 1 2 261.369 2.833 40 0 CFABLO O=CN1CCCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213871 256713297 /nfs/dbraw/zinc/71/32/97/256713297.db2.gz QKINPUHQQQSHSJ-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072213287 393643774 /nfs/dbraw/zinc/64/37/74/393643774.db2.gz KXXIJTWNAOPNCQ-CQSZACIVSA-N 1 2 261.369 2.833 40 0 CFABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072213379 393643892 /nfs/dbraw/zinc/64/38/92/393643892.db2.gz VKTMJCIVPDCJQD-RISCZKNCSA-N 1 2 261.369 2.975 40 0 CFABLO Cc1cnc2[nH]c(C(F)(F)F)c(C[NH+]3CCOCC3)c2c1 ZINC000072395394 393650036 /nfs/dbraw/zinc/65/00/36/393650036.db2.gz CGFAKAJCTWNMLO-UHFFFAOYSA-N 1 2 299.296 2.722 40 0 CFABLO O=C(NCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000022250891 171382384 /nfs/dbraw/zinc/38/23/84/171382384.db2.gz AKUMOQHXWAMKTN-UHFFFAOYSA-N 1 2 297.280 2.722 40 0 CFABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000072372064 176384581 /nfs/dbraw/zinc/38/45/81/176384581.db2.gz GAHWJPNWWDELNL-AWEZNQCLSA-N 1 2 259.328 2.896 40 0 CFABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000072372064 176384582 /nfs/dbraw/zinc/38/45/82/176384582.db2.gz GAHWJPNWWDELNL-AWEZNQCLSA-N 1 2 259.328 2.896 40 0 CFABLO CC(=O)Nc1cc([N@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216864119 277063411 /nfs/dbraw/zinc/06/34/11/277063411.db2.gz XXFBWQUMHYVBHC-NSHDSACASA-N 1 2 261.369 2.914 40 0 CFABLO CC(=O)Nc1cc([N@@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216864119 277063413 /nfs/dbraw/zinc/06/34/13/277063413.db2.gz XXFBWQUMHYVBHC-NSHDSACASA-N 1 2 261.369 2.914 40 0 CFABLO C[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000061843941 278319342 /nfs/dbraw/zinc/31/93/42/278319342.db2.gz UJJQZDFRSDIZNT-ZCFIWIBFSA-N 1 2 256.231 2.510 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)c1 ZINC000095533605 185006425 /nfs/dbraw/zinc/00/64/25/185006425.db2.gz ZVNDSHXIPNTYBC-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)c1 ZINC000095533605 185006427 /nfs/dbraw/zinc/00/64/27/185006427.db2.gz ZVNDSHXIPNTYBC-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1 ZINC000095534101 185007497 /nfs/dbraw/zinc/00/74/97/185007497.db2.gz IHVUDUNEMKBGCA-CQSZACIVSA-N 1 2 280.331 2.534 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1 ZINC000095534101 185007498 /nfs/dbraw/zinc/00/74/98/185007498.db2.gz IHVUDUNEMKBGCA-CQSZACIVSA-N 1 2 280.331 2.534 40 0 CFABLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836637 185116174 /nfs/dbraw/zinc/11/61/74/185116174.db2.gz ZATBTFJWICIXNI-OAHLLOKOSA-N 1 2 288.322 2.511 40 0 CFABLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836637 185116176 /nfs/dbraw/zinc/11/61/76/185116176.db2.gz ZATBTFJWICIXNI-OAHLLOKOSA-N 1 2 288.322 2.511 40 0 CFABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cccc(O)c1)C2 ZINC000008367572 346224264 /nfs/dbraw/zinc/22/42/64/346224264.db2.gz JHDOPYDKRWXJPU-UHFFFAOYSA-N 1 2 296.370 2.963 40 0 CFABLO O=S1(=O)C=C[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000105889651 347730439 /nfs/dbraw/zinc/73/04/39/347730439.db2.gz MRGGHPSXKUZACQ-INIZCTEOSA-N 1 2 299.395 2.676 40 0 CFABLO Cc1ccccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106304114 186107003 /nfs/dbraw/zinc/10/70/03/186107003.db2.gz MUZLTERADXXXFL-UHFFFAOYSA-N 1 2 266.344 2.949 40 0 CFABLO CCNc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CC)n1 ZINC000328957073 202131411 /nfs/dbraw/zinc/13/14/11/202131411.db2.gz AJACGERICBJPNT-GFCCVEGCSA-N 1 2 270.380 2.630 40 0 CFABLO CNc1nc(Nc2cc(C)ccc2C)cc(C2CC2)[nH+]1 ZINC000328975918 202137118 /nfs/dbraw/zinc/13/71/18/202137118.db2.gz FMFQXKYWDVGITD-UHFFFAOYSA-N 1 2 268.364 2.600 40 0 CFABLO CNc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000328997943 202146988 /nfs/dbraw/zinc/14/69/88/202146988.db2.gz JQXPCDNOFVMPIZ-UHFFFAOYSA-N 1 2 296.399 2.703 40 0 CFABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NC)n2)cc1 ZINC000329023443 202156913 /nfs/dbraw/zinc/15/69/13/202156913.db2.gz OTLVMPJTHYIUAV-UHFFFAOYSA-N 1 2 284.363 2.960 40 0 CFABLO O[C@@](Cn1cc[nH+]c1)(c1ccccn1)C1CCCCC1 ZINC000018191433 372143158 /nfs/dbraw/zinc/14/31/58/372143158.db2.gz MNZVCHOVMJMPNG-MRXNPFEDSA-N 1 2 271.364 2.746 40 0 CFABLO Cc1cc(C)n([C@@H](C)Cn2c[nH+]cc2-c2cn(C)nc2C)n1 ZINC000019719435 372180706 /nfs/dbraw/zinc/18/07/06/372180706.db2.gz IQAOFAGJRYGDKL-ZDUSSCGKSA-N 1 2 298.394 2.667 40 0 CFABLO Cc1ccc2nc(C)c(C(=O)NCc3[nH+]ccn3C)cc2c1 ZINC000019221156 372151298 /nfs/dbraw/zinc/15/12/98/372151298.db2.gz LRAWDYNIRXYQJD-UHFFFAOYSA-N 1 2 294.358 2.515 40 0 CFABLO Cc1ccc2nc(C)c(C(=O)NCc3[nH]cc[nH+]3)cc2c1 ZINC000019221153 372151918 /nfs/dbraw/zinc/15/19/18/372151918.db2.gz BUUZAHGLTMVLKB-UHFFFAOYSA-N 1 2 280.331 2.505 40 0 CFABLO C[C@@H]1CCc2c(C(=O)NCc3[nH+]ccn3C)csc2C1 ZINC000019497181 372170291 /nfs/dbraw/zinc/17/02/91/372170291.db2.gz UALAHKXKYBUXOD-SNVBAGLBSA-N 1 2 289.404 2.536 40 0 CFABLO Cc1ccsc1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096198798 375478177 /nfs/dbraw/zinc/47/81/77/375478177.db2.gz XOCNYIVIANZNIN-UHFFFAOYSA-N 1 2 287.388 2.544 40 0 CFABLO Cc1nc([C@H]2COCC[N@@H+]2C2CCCC2)cs1 ZINC000096217793 375479593 /nfs/dbraw/zinc/47/95/93/375479593.db2.gz TZWVFIWSPSRXIR-CYBMUJFWSA-N 1 2 252.383 2.767 40 0 CFABLO Cc1nc([C@H]2COCC[N@H+]2C2CCCC2)cs1 ZINC000096217793 375479597 /nfs/dbraw/zinc/47/95/97/375479597.db2.gz TZWVFIWSPSRXIR-CYBMUJFWSA-N 1 2 252.383 2.767 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257216981 190013983 /nfs/dbraw/zinc/01/39/83/190013983.db2.gz CWZDSGUYYBXHNW-NSHDSACASA-N 1 2 261.350 2.757 40 0 CFABLO CCCCc1[nH]c(CN2CCC[C@H]2c2cnccn2)c[nH+]1 ZINC000257229761 190016417 /nfs/dbraw/zinc/01/64/17/190016417.db2.gz FZKKBEAJOVAGBE-HNNXBMFYSA-N 1 2 285.395 2.879 40 0 CFABLO CCCCc1[nH]cc(CN2CCC[C@H]2c2cnccn2)[nH+]1 ZINC000257229761 190016418 /nfs/dbraw/zinc/01/64/18/190016418.db2.gz FZKKBEAJOVAGBE-HNNXBMFYSA-N 1 2 285.395 2.879 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3cccs3)C2)[nH+]1 ZINC000257220861 190014832 /nfs/dbraw/zinc/01/48/32/190014832.db2.gz DMMGRYRBGFWUBA-GFCCVEGCSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257245092 190019554 /nfs/dbraw/zinc/01/95/54/190019554.db2.gz IOBDXQYJIHSLBF-MRXNPFEDSA-N 1 2 295.386 2.837 40 0 CFABLO c1cn2c(n1)nccc2[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000257248034 190020355 /nfs/dbraw/zinc/02/03/55/190020355.db2.gz JBTJHCOALAXVET-GFCCVEGCSA-N 1 2 285.376 2.523 40 0 CFABLO c1cn2c(n1)nccc2[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000257248034 190020356 /nfs/dbraw/zinc/02/03/56/190020356.db2.gz JBTJHCOALAXVET-GFCCVEGCSA-N 1 2 285.376 2.523 40 0 CFABLO Cc1cncc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257266056 190023326 /nfs/dbraw/zinc/02/33/26/190023326.db2.gz MBJWLKWTILLVNQ-LBPRGKRZSA-N 1 2 274.393 2.621 40 0 CFABLO Cc1cncc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257266056 190023327 /nfs/dbraw/zinc/02/33/27/190023327.db2.gz MBJWLKWTILLVNQ-LBPRGKRZSA-N 1 2 274.393 2.621 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257274212 190024571 /nfs/dbraw/zinc/02/45/71/190024571.db2.gz NJZMWDNFJHTKLG-LBPRGKRZSA-N 1 2 260.366 2.579 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257274212 190024572 /nfs/dbraw/zinc/02/45/72/190024572.db2.gz NJZMWDNFJHTKLG-LBPRGKRZSA-N 1 2 260.366 2.579 40 0 CFABLO CC(C)C(=O)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257307533 190031540 /nfs/dbraw/zinc/03/15/40/190031540.db2.gz SZCQAOGGLQAFCK-CYBMUJFWSA-N 1 2 257.337 2.654 40 0 CFABLO Cc1csc(NC(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257304244 190030110 /nfs/dbraw/zinc/03/01/10/190030110.db2.gz SKSOSYQCLWMEOC-UHFFFAOYSA-N 1 2 286.360 2.589 40 0 CFABLO CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257327005 190034970 /nfs/dbraw/zinc/03/49/70/190034970.db2.gz WZLSOERVFPCVBI-MRXNPFEDSA-N 1 2 285.395 2.810 40 0 CFABLO CCCn1cc(C[N@H+]2CCCC[C@@H]2c2ccncn2)cn1 ZINC000257327005 190034971 /nfs/dbraw/zinc/03/49/71/190034971.db2.gz WZLSOERVFPCVBI-MRXNPFEDSA-N 1 2 285.395 2.810 40 0 CFABLO CCc1[nH+]ccn1-c1ccc([C@H]2CCCCN2C(C)=O)cn1 ZINC000257332755 190035409 /nfs/dbraw/zinc/03/54/09/190035409.db2.gz XYNGIPRHVIWWMG-OAHLLOKOSA-N 1 2 298.390 2.903 40 0 CFABLO c1coc(-c2cnc3n2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000306127413 382453153 /nfs/dbraw/zinc/45/31/53/382453153.db2.gz FYEPJBSHDDWCID-UHFFFAOYSA-N 1 2 280.331 2.554 40 0 CFABLO c1coc(-c2cnc3n2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000306127413 382453158 /nfs/dbraw/zinc/45/31/58/382453158.db2.gz FYEPJBSHDDWCID-UHFFFAOYSA-N 1 2 280.331 2.554 40 0 CFABLO Cc1cnc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)s1 ZINC000257252477 383493049 /nfs/dbraw/zinc/49/30/49/383493049.db2.gz JUYRBHWVKFBZOS-LBPRGKRZSA-N 1 2 274.393 2.934 40 0 CFABLO Cc1[nH+]c(N2CCN(C=O)CC2)ccc1SC(C)(C)C ZINC000072224738 256704347 /nfs/dbraw/zinc/70/43/47/256704347.db2.gz IDIWYPUZNJCBEA-UHFFFAOYSA-N 1 2 293.436 2.559 40 0 CFABLO O=CN1CCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213946 393645367 /nfs/dbraw/zinc/64/53/67/393645367.db2.gz WQXRSPHZEIDLPN-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CC(=O)N1CCCC[C@H]1c1c[nH+]c(N(C)C)c(C)c1 ZINC000072218654 393645530 /nfs/dbraw/zinc/64/55/30/393645530.db2.gz GIUREHDLPYTEQB-AWEZNQCLSA-N 1 2 261.369 2.530 40 0 CFABLO Cc1cc([C@H]2CCCN2C=O)c[nH+]c1N1CCCCC1 ZINC000072219148 393646459 /nfs/dbraw/zinc/64/64/59/393646459.db2.gz IRJFADSUBUCJKH-OAHLLOKOSA-N 1 2 273.380 2.674 40 0 CFABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1C=O ZINC000072224920 393647231 /nfs/dbraw/zinc/64/72/31/393647231.db2.gz UFEBZZUSULBFBE-UHFFFAOYSA-N 1 2 252.317 2.765 40 0 CFABLO CCO[C@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000248382959 393907629 /nfs/dbraw/zinc/90/76/29/393907629.db2.gz YRPHTZBXMTYEHH-AWEZNQCLSA-N 1 2 279.355 2.596 40 0 CFABLO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)cc1Cl ZINC000006565565 170213815 /nfs/dbraw/zinc/21/38/15/170213815.db2.gz JOXQNBFGGNTGLF-UHFFFAOYSA-N 1 2 284.146 2.689 40 0 CFABLO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)cc1Cl ZINC000006565565 170213817 /nfs/dbraw/zinc/21/38/17/170213817.db2.gz JOXQNBFGGNTGLF-UHFFFAOYSA-N 1 2 284.146 2.689 40 0 CFABLO Cc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1C ZINC000007502190 170287765 /nfs/dbraw/zinc/28/77/65/170287765.db2.gz KWVNBXCPWNGVSZ-UHFFFAOYSA-N 1 2 288.420 2.877 40 0 CFABLO Cc1ccc2c(CC(=O)NCc3[nH+]ccn3C)coc2c1C ZINC000019221748 170755756 /nfs/dbraw/zinc/75/57/56/170755756.db2.gz DQMSBAAGQAIVSU-UHFFFAOYSA-N 1 2 297.358 2.642 40 0 CFABLO COC(=O)[C@@H](C)Oc1cc[nH+]c2c(C)cc(C)cc12 ZINC000045928066 175387022 /nfs/dbraw/zinc/38/70/22/175387022.db2.gz WNPKFIAHBLXLTR-LLVKDONJSA-N 1 2 259.305 2.792 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000072385800 176390499 /nfs/dbraw/zinc/39/04/99/176390499.db2.gz LTQJMZFEEYNFNT-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000072385800 176390500 /nfs/dbraw/zinc/39/05/00/176390500.db2.gz LTQJMZFEEYNFNT-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO Cn1c2ccc(Cl)cc2[nH+]c1CCCCCO ZINC000095532032 185004796 /nfs/dbraw/zinc/00/47/96/185004796.db2.gz JUBLLCDSSSRKIE-UHFFFAOYSA-N 1 2 252.745 2.932 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)c1 ZINC000095533600 185005902 /nfs/dbraw/zinc/00/59/02/185005902.db2.gz JJCRHNJTMWCRJG-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000095533600 185005904 /nfs/dbraw/zinc/00/59/04/185005904.db2.gz JJCRHNJTMWCRJG-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533397 185006193 /nfs/dbraw/zinc/00/61/93/185006193.db2.gz UJXLLFZUYPHRDO-AWEZNQCLSA-N 1 2 280.331 2.528 40 0 CFABLO COc1cccc(-c2nc([C@@H]([NH3+])c3ccccc3)n[nH]2)c1 ZINC000095533397 185006195 /nfs/dbraw/zinc/00/61/95/185006195.db2.gz UJXLLFZUYPHRDO-AWEZNQCLSA-N 1 2 280.331 2.528 40 0 CFABLO COCc1cncc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096059258 185079085 /nfs/dbraw/zinc/07/90/85/185079085.db2.gz MIGBLSAAQVWOLV-UHFFFAOYSA-N 1 2 286.350 2.925 40 0 CFABLO COCc1cncc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096059258 185079087 /nfs/dbraw/zinc/07/90/87/185079087.db2.gz MIGBLSAAQVWOLV-UHFFFAOYSA-N 1 2 286.350 2.925 40 0 CFABLO C[N@@H+]1CCC[C@H]1COc1ccc(C=O)cc1Br ZINC000386683383 348536047 /nfs/dbraw/zinc/53/60/47/348536047.db2.gz XTXYNZUQFPGECZ-NSHDSACASA-N 1 2 298.180 2.735 40 0 CFABLO C[N@H+]1CCC[C@H]1COc1ccc(C=O)cc1Br ZINC000386683383 348536050 /nfs/dbraw/zinc/53/60/50/348536050.db2.gz XTXYNZUQFPGECZ-NSHDSACASA-N 1 2 298.180 2.735 40 0 CFABLO CC(=O)[C@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000001671663 371695550 /nfs/dbraw/zinc/69/55/50/371695550.db2.gz PBOOWWQMFZHFGD-GOSISDBHSA-N 1 2 283.371 2.811 40 0 CFABLO CC(=O)[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000001671663 371695555 /nfs/dbraw/zinc/69/55/55/371695555.db2.gz PBOOWWQMFZHFGD-GOSISDBHSA-N 1 2 283.371 2.811 40 0 CFABLO Cn1ncc2c1nc[nH+]c2NC(C)(C)CC(C)(C)C ZINC000001718470 371702178 /nfs/dbraw/zinc/70/21/78/371702178.db2.gz ZRJANANMUOFDQM-UHFFFAOYSA-N 1 2 261.373 2.990 40 0 CFABLO Cc1c2ccccc2[nH]c1C(=O)NCCCCn1cc[nH+]c1 ZINC000012146870 371946153 /nfs/dbraw/zinc/94/61/53/371946153.db2.gz CNFDDTXPJSOLHS-UHFFFAOYSA-N 1 2 296.374 2.883 40 0 CFABLO COC(=O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000047916514 373130914 /nfs/dbraw/zinc/13/09/14/373130914.db2.gz UQPIWUPEMPANIP-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO CCOc1ccccc1Nc1cc(N)[nH+]c(SC)n1 ZINC000049467431 373298704 /nfs/dbraw/zinc/29/87/04/373298704.db2.gz YBWXGPVYPNUCLN-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO COCCc1nc(Nc2ccccc2Cl)cc(N)[nH+]1 ZINC000049467779 373302352 /nfs/dbraw/zinc/30/23/52/373302352.db2.gz RDAWUQNNLIINPM-UHFFFAOYSA-N 1 2 278.743 2.645 40 0 CFABLO Cc1ccc(CC2CCN(c3cnccn3)CC2)[nH+]c1 ZINC000072381037 374249927 /nfs/dbraw/zinc/24/99/27/374249927.db2.gz KEHNVHZZKZFLMX-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO Cc1cccc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000072356590 374247074 /nfs/dbraw/zinc/24/70/74/374247074.db2.gz MWOSQEYXUYTMTQ-UHFFFAOYSA-N 1 2 254.337 2.564 40 0 CFABLO Cc1cc(NCCO)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000073310350 374336012 /nfs/dbraw/zinc/33/60/12/374336012.db2.gz FFUORJBKNBKITF-UHFFFAOYSA-N 1 2 263.728 2.510 40 0 CFABLO CC(C)[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073862352 374395123 /nfs/dbraw/zinc/39/51/23/374395123.db2.gz FWBRPHHESDIGPH-ZDUSSCGKSA-N 1 2 271.364 2.706 40 0 CFABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096187791 375475296 /nfs/dbraw/zinc/47/52/96/375475296.db2.gz VUUBBNQXZTVGRB-CQSZACIVSA-N 1 2 291.420 2.613 40 0 CFABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096187791 375475300 /nfs/dbraw/zinc/47/53/00/375475300.db2.gz VUUBBNQXZTVGRB-CQSZACIVSA-N 1 2 291.420 2.613 40 0 CFABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256053476 190004782 /nfs/dbraw/zinc/00/47/82/190004782.db2.gz ROXWDHDIAPUQHB-CQSZACIVSA-N 1 2 289.427 2.996 40 0 CFABLO CC(C)Cn1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)n1 ZINC000256051047 190003939 /nfs/dbraw/zinc/00/39/39/190003939.db2.gz HMOHPGQVOJVENS-UHFFFAOYSA-N 1 2 289.427 2.681 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257252344 190021241 /nfs/dbraw/zinc/02/12/41/190021241.db2.gz JULQVGYWKYKPHS-GFCCVEGCSA-N 1 2 289.404 2.810 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCOc2ccccc2)[nH+]1 ZINC000257256990 190021824 /nfs/dbraw/zinc/02/18/24/190021824.db2.gz KNQSIRCTTHBKLN-HNNXBMFYSA-N 1 2 299.374 2.851 40 0 CFABLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257283037 190026057 /nfs/dbraw/zinc/02/60/57/190026057.db2.gz OWNPMNHADZGAMM-QGZVFWFLSA-N 1 2 295.386 2.519 40 0 CFABLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257283037 190026058 /nfs/dbraw/zinc/02/60/58/190026058.db2.gz OWNPMNHADZGAMM-QGZVFWFLSA-N 1 2 295.386 2.519 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257281677 190026329 /nfs/dbraw/zinc/02/63/29/190026329.db2.gz OQLHPZZJAULYJA-CQSZACIVSA-N 1 2 299.374 2.826 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257281677 190026330 /nfs/dbraw/zinc/02/63/30/190026330.db2.gz OQLHPZZJAULYJA-CQSZACIVSA-N 1 2 299.374 2.826 40 0 CFABLO c1cncc(C[NH+]2CCC(Cc3ccncc3)CC2)c1 ZINC000257326019 190033999 /nfs/dbraw/zinc/03/39/99/190033999.db2.gz WVLNWCFLIDCITH-UHFFFAOYSA-N 1 2 267.376 2.931 40 0 CFABLO Cc1c[nH]nc1[C@@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC000257327080 190035232 /nfs/dbraw/zinc/03/52/32/190035232.db2.gz WZWDXGIHMOHHHJ-INIZCTEOSA-N 1 2 285.391 2.724 40 0 CFABLO Cc1c[nH]nc1[C@@H]1COCC[N@H+]1CCCc1ccccc1 ZINC000257327080 190035233 /nfs/dbraw/zinc/03/52/33/190035233.db2.gz WZWDXGIHMOHHHJ-INIZCTEOSA-N 1 2 285.391 2.724 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc(C)n2)n1 ZINC000257332641 190035323 /nfs/dbraw/zinc/03/53/23/190035323.db2.gz XYCMZYVBVGYLKP-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc(C)n2)n1 ZINC000257332641 190035324 /nfs/dbraw/zinc/03/53/24/190035324.db2.gz XYCMZYVBVGYLKP-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000191137111 382692505 /nfs/dbraw/zinc/69/25/05/382692505.db2.gz HEHLBJMRKFFWFG-UHFFFAOYSA-N 1 2 277.755 2.665 40 0 CFABLO Cc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000223080492 382804110 /nfs/dbraw/zinc/80/41/10/382804110.db2.gz QZPRVEOZFBYQRY-UHFFFAOYSA-N 1 2 285.391 2.639 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000072212359 393643326 /nfs/dbraw/zinc/64/33/26/393643326.db2.gz UNLOUYICYDDIRI-LLVKDONJSA-N 1 2 263.341 2.736 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1N ZINC000072212416 393643976 /nfs/dbraw/zinc/64/39/76/393643976.db2.gz OIUBDFSJPCIEIK-NSHDSACASA-N 1 2 263.341 2.736 40 0 CFABLO CCN(CC)c1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072212869 393644169 /nfs/dbraw/zinc/64/41/69/393644169.db2.gz MMIBYFIAZSWSBJ-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213753 393645017 /nfs/dbraw/zinc/64/50/17/393645017.db2.gz CZSFVODVERNGRZ-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO O[C@@H](c1ccccc1)c1ccc(N2CCCC2)[nH+]c1 ZINC000072225432 393647784 /nfs/dbraw/zinc/64/77/84/393647784.db2.gz OTNJTKZZYSDUBM-INIZCTEOSA-N 1 2 254.333 2.764 40 0 CFABLO CCCn1cc(C[NH2+]Cc2csc(C3CC3)n2)cn1 ZINC000095093905 393811551 /nfs/dbraw/zinc/81/15/51/393811551.db2.gz XJGJWCFEUBMZRL-UHFFFAOYSA-N 1 2 276.409 2.917 40 0 CFABLO O=C(NCCc1c[nH+]c[nH]1)c1c(Cl)cccc1Cl ZINC000006447923 170202108 /nfs/dbraw/zinc/20/21/08/170202108.db2.gz OYMHHYUUWIOYOI-UHFFFAOYSA-N 1 2 284.146 2.689 40 0 CFABLO O=C(NCCc1c[nH]c[nH+]1)c1c(Cl)cccc1Cl ZINC000006447923 170202110 /nfs/dbraw/zinc/20/21/10/170202110.db2.gz OYMHHYUUWIOYOI-UHFFFAOYSA-N 1 2 284.146 2.689 40 0 CFABLO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849151 174158125 /nfs/dbraw/zinc/15/81/25/174158125.db2.gz PTLPFMPRVMROQR-UAGQMJEPSA-N 1 2 295.386 2.850 40 0 CFABLO CC(C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038859201 174158262 /nfs/dbraw/zinc/15/82/62/174158262.db2.gz MOCZJFJHLNYRIC-UHFFFAOYSA-N 1 2 271.364 2.707 40 0 CFABLO C[C@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000044914443 175276219 /nfs/dbraw/zinc/27/62/19/175276219.db2.gz MBMOFDVXKOBECT-AWEZNQCLSA-N 1 2 283.375 2.804 40 0 CFABLO Cc1ccc(C2=CC[N@H+](CC(=O)NC3CCCC3)CC2)o1 ZINC000072342286 176371498 /nfs/dbraw/zinc/37/14/98/176371498.db2.gz BEHUSQANKHUTLN-UHFFFAOYSA-N 1 2 288.391 2.736 40 0 CFABLO Cc1ccc(C2=CC[N@@H+](CC(=O)NC3CCCC3)CC2)o1 ZINC000072342286 176371500 /nfs/dbraw/zinc/37/15/00/176371500.db2.gz BEHUSQANKHUTLN-UHFFFAOYSA-N 1 2 288.391 2.736 40 0 CFABLO Cc1csc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072381858 176387521 /nfs/dbraw/zinc/38/75/21/176387521.db2.gz JGTXXNOVKGUCSV-LLVKDONJSA-N 1 2 260.366 2.891 40 0 CFABLO CCc1[nH]c2ccc(NC(=O)c3cnc(C)nc3C)cc2[nH+]1 ZINC000072398365 176396646 /nfs/dbraw/zinc/39/66/46/176396646.db2.gz RIZIKLNMAUZYHW-UHFFFAOYSA-N 1 2 295.346 2.784 40 0 CFABLO Nc1nc(N2CCCCC2)[nH+]cc1-c1ccccc1 ZINC000022126420 295368451 /nfs/dbraw/zinc/36/84/51/295368451.db2.gz SMJZEXUUDNHCJH-UHFFFAOYSA-N 1 2 254.337 2.716 40 0 CFABLO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938019 545575306 /nfs/dbraw/zinc/57/53/06/545575306.db2.gz GWPWSJWLRMFANT-TXEJJXNPSA-N 1 2 271.364 2.739 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096044810 185071712 /nfs/dbraw/zinc/07/17/12/185071712.db2.gz LBZUKHZUIMWCAU-LBPRGKRZSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096044810 185071713 /nfs/dbraw/zinc/07/17/13/185071713.db2.gz LBZUKHZUIMWCAU-LBPRGKRZSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC(=O)[C@H]1CC(C)=CC[N@@H+]1Cc1ccccc1 ZINC000079596783 347315528 /nfs/dbraw/zinc/31/55/28/347315528.db2.gz LYATWKHNENCBKK-OAHLLOKOSA-N 1 2 259.349 2.770 40 0 CFABLO CCOC(=O)[C@H]1CC(C)=CC[N@H+]1Cc1ccccc1 ZINC000079596783 347315530 /nfs/dbraw/zinc/31/55/30/347315530.db2.gz LYATWKHNENCBKK-OAHLLOKOSA-N 1 2 259.349 2.770 40 0 CFABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)co1 ZINC000585103300 348734630 /nfs/dbraw/zinc/73/46/30/348734630.db2.gz UFLZULQRUNFJHZ-MRXNPFEDSA-N 1 2 291.391 2.687 40 0 CFABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1 ZINC000328973157 202134375 /nfs/dbraw/zinc/13/43/75/202134375.db2.gz DZNPICJMMIOYTO-UHFFFAOYSA-N 1 2 298.390 2.770 40 0 CFABLO Oc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000328982170 202139440 /nfs/dbraw/zinc/13/94/40/202139440.db2.gz GYFSDIQAJZKGMI-UHFFFAOYSA-N 1 2 282.347 2.799 40 0 CFABLO O=C(NCCCCCC[NH+]1CC1)Nc1ccccc1 ZINC000001667832 371693835 /nfs/dbraw/zinc/69/38/35/371693835.db2.gz BUMMAKHEGCJHCM-UHFFFAOYSA-N 1 2 261.369 2.684 40 0 CFABLO N=C1[NH+]=C(N2CCCC2)S/C1=C\c1ccccc1O ZINC000016449016 372106609 /nfs/dbraw/zinc/10/66/09/372106609.db2.gz WNVPEEOBEXBIEN-SZMSGESKSA-N 1 2 273.361 2.909 40 0 CFABLO Cc1nnc2c(Cc3ccc(C)cc3)[nH][nH+]c(C)c1-2 ZINC000017107083 372127671 /nfs/dbraw/zinc/12/76/71/372127671.db2.gz PWRBBJVHJPTSQB-UHFFFAOYSA-N 1 2 252.321 2.869 40 0 CFABLO Cc1nnc2c(Cc3ccc(C)cc3)[nH+][nH]c(C)c1-2 ZINC000017107083 372127675 /nfs/dbraw/zinc/12/76/75/372127675.db2.gz PWRBBJVHJPTSQB-UHFFFAOYSA-N 1 2 252.321 2.869 40 0 CFABLO Nc1cc(Oc2c(Cl)cccc2Cl)nc(N)[nH+]1 ZINC000022008656 372243969 /nfs/dbraw/zinc/24/39/69/372243969.db2.gz HKUQSDNFCBNGLN-UHFFFAOYSA-N 1 2 271.107 2.740 40 0 CFABLO CCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379339 372258791 /nfs/dbraw/zinc/25/87/91/372258791.db2.gz ZQBMUHABRSEAIK-UXBLZVDNSA-N 1 2 272.392 2.644 40 0 CFABLO CCOC(=O)c1c(/C=C/c2[nH]cc[nH+]2)cccc1OC ZINC000035973567 372554611 /nfs/dbraw/zinc/55/46/11/372554611.db2.gz SVPGSSCWCGPVCK-BQYQJAHWSA-N 1 2 272.304 2.765 40 0 CFABLO Cc1nc(N2CCC[C@@H](c3ccncc3)C2)cc[nH+]1 ZINC000072369073 374245468 /nfs/dbraw/zinc/24/54/68/374245468.db2.gz GZOIRSVXUQIOSR-CQSZACIVSA-N 1 2 254.337 2.564 40 0 CFABLO Cc1cc(N2CCC[C@@H](c3ccncc3)C2)nc[nH+]1 ZINC000072369003 374247178 /nfs/dbraw/zinc/24/71/78/374247178.db2.gz BQLUYKBFAKGMON-CQSZACIVSA-N 1 2 254.337 2.564 40 0 CFABLO CC(=O)N1CC[N@@H+](C)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367712 374247455 /nfs/dbraw/zinc/24/74/55/374247455.db2.gz HYIHORQNEINFGR-CYBMUJFWSA-N 1 2 286.297 2.540 40 0 CFABLO CC(=O)N1CC[N@H+](C)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367712 374247458 /nfs/dbraw/zinc/24/74/58/374247458.db2.gz HYIHORQNEINFGR-CYBMUJFWSA-N 1 2 286.297 2.540 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000072385500 374248652 /nfs/dbraw/zinc/24/86/52/374248652.db2.gz SDSGWDFYIRDIGT-GFCCVEGCSA-N 1 2 257.341 2.548 40 0 CFABLO Fc1cc(F)cc(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000256049718 190002754 /nfs/dbraw/zinc/00/27/54/190002754.db2.gz BCOZNCGKZYZOJD-UHFFFAOYSA-N 1 2 273.233 2.846 40 0 CFABLO CC(C)Cn1nccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256050391 190002952 /nfs/dbraw/zinc/00/29/52/190002952.db2.gz DVJLIVFXBYZLPK-UHFFFAOYSA-N 1 2 275.400 2.606 40 0 CFABLO CC(C)n1ccc(C[NH2+]Cc2ccc(F)s2)n1 ZINC000256052448 190004598 /nfs/dbraw/zinc/00/45/98/190004598.db2.gz NJEQKUJOXAJFTI-UHFFFAOYSA-N 1 2 253.346 2.954 40 0 CFABLO CNc1cccc([C@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000257200469 190011107 /nfs/dbraw/zinc/01/11/07/190011107.db2.gz ADLXXQDOAIHYNV-CQSZACIVSA-N 1 2 289.404 2.758 40 0 CFABLO CNc1cccc([C@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000257200469 190011108 /nfs/dbraw/zinc/01/11/08/190011108.db2.gz ADLXXQDOAIHYNV-CQSZACIVSA-N 1 2 289.404 2.758 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257206451 190011450 /nfs/dbraw/zinc/01/14/50/190011450.db2.gz BDMRUFGHSFZVIO-GFCCVEGCSA-N 1 2 289.404 2.728 40 0 CFABLO CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257209288 190012308 /nfs/dbraw/zinc/01/23/08/190012308.db2.gz BPTXAUDKMIADQK-GFCCVEGCSA-N 1 2 288.351 2.554 40 0 CFABLO CNc1cc([C@H]2CCCN2C(=O)c2cncs2)cc[nH+]1 ZINC000257214325 190012782 /nfs/dbraw/zinc/01/27/82/190012782.db2.gz CLPAFZJXMJRYBI-LLVKDONJSA-N 1 2 288.376 2.557 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccccc2F)[nH+]1 ZINC000257226841 190015506 /nfs/dbraw/zinc/01/55/06/190015506.db2.gz FMKJGNONOFZAII-CQSZACIVSA-N 1 2 287.338 2.763 40 0 CFABLO COc1cc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)ccc1F ZINC000257234060 190016749 /nfs/dbraw/zinc/01/67/49/190016749.db2.gz GRXHPBIRCZFQJB-LBPRGKRZSA-N 1 2 275.327 2.547 40 0 CFABLO COc1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)ccc1F ZINC000257234060 190016750 /nfs/dbraw/zinc/01/67/50/190016750.db2.gz GRXHPBIRCZFQJB-LBPRGKRZSA-N 1 2 275.327 2.547 40 0 CFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257253855 190020763 /nfs/dbraw/zinc/02/07/63/190020763.db2.gz KANPJGCFUWJZBT-GFCCVEGCSA-N 1 2 289.404 2.728 40 0 CFABLO CCn1nc(C)c(C[N@@H+]2CCC[C@H]2c2nc(C)c[nH]2)c1C ZINC000257266559 190022984 /nfs/dbraw/zinc/02/29/84/190022984.db2.gz MDNWXNMQUQJJFQ-HNNXBMFYSA-N 1 2 287.411 2.888 40 0 CFABLO CCn1nc(C)c(C[N@H+]2CCC[C@H]2c2nc(C)c[nH]2)c1C ZINC000257266559 190022985 /nfs/dbraw/zinc/02/29/85/190022985.db2.gz MDNWXNMQUQJJFQ-HNNXBMFYSA-N 1 2 287.411 2.888 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257271448 190024176 /nfs/dbraw/zinc/02/41/76/190024176.db2.gz MYJQAIRXUWSBDO-AWEZNQCLSA-N 1 2 299.374 2.503 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(N)n3)C2)s1 ZINC000257279991 190025758 /nfs/dbraw/zinc/02/57/58/190025758.db2.gz OJBCNDIZBLKGIT-AWEZNQCLSA-N 1 2 289.404 2.607 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(N)n3)C2)s1 ZINC000257279991 190025759 /nfs/dbraw/zinc/02/57/59/190025759.db2.gz OJBCNDIZBLKGIT-AWEZNQCLSA-N 1 2 289.404 2.607 40 0 CFABLO CNc1cc([C@@H]2CCCN2Cc2cscn2)[nH+]c(C)n1 ZINC000257282389 190026291 /nfs/dbraw/zinc/02/62/91/190026291.db2.gz OTOMAWKTUCPUCA-ZDUSSCGKSA-N 1 2 289.408 2.620 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3sccc3C)C2)[nH+]1 ZINC000257281063 190026632 /nfs/dbraw/zinc/02/66/32/190026632.db2.gz ONLXIRNMJXJVOM-LLVKDONJSA-N 1 2 275.377 2.718 40 0 CFABLO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257275890 190024526 /nfs/dbraw/zinc/02/45/26/190024526.db2.gz NRKDFPRAPXUQQJ-ZDUSSCGKSA-N 1 2 299.403 2.831 40 0 CFABLO Cc1nc2sccn2c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257275890 190024527 /nfs/dbraw/zinc/02/45/27/190024527.db2.gz NRKDFPRAPXUQQJ-ZDUSSCGKSA-N 1 2 299.403 2.831 40 0 CFABLO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257272632 190024874 /nfs/dbraw/zinc/02/48/74/190024874.db2.gz NDFFBLUAIJLTTM-CQSZACIVSA-N 1 2 288.420 2.941 40 0 CFABLO CN(C)c1cc([C@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257272632 190024875 /nfs/dbraw/zinc/02/48/75/190024875.db2.gz NDFFBLUAIJLTTM-CQSZACIVSA-N 1 2 288.420 2.941 40 0 CFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccncc3)C2)cc[nH+]1 ZINC000257312031 190032067 /nfs/dbraw/zinc/03/20/67/190032067.db2.gz UMDNJTPZKMHTLP-HNNXBMFYSA-N 1 2 296.374 2.538 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257324192 190034294 /nfs/dbraw/zinc/03/42/94/190034294.db2.gz WNQAADRPBBINQJ-LBPRGKRZSA-N 1 2 276.409 2.565 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257324192 190034295 /nfs/dbraw/zinc/03/42/95/190034295.db2.gz WNQAADRPBBINQJ-LBPRGKRZSA-N 1 2 276.409 2.565 40 0 CFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2sccc2C)[nH+]1 ZINC000257324631 190034300 /nfs/dbraw/zinc/03/43/00/190034300.db2.gz WPODODGXNYGSPA-LBPRGKRZSA-N 1 2 277.393 2.662 40 0 CFABLO c1cn2c(n1)C[N@@H+](CC1CCOCC1)[C@H](c1ccccc1)C2 ZINC000257325650 190034335 /nfs/dbraw/zinc/03/43/35/190034335.db2.gz WTUPXEUYRBEFHH-KRWDZBQOSA-N 1 2 297.402 2.867 40 0 CFABLO c1cn2c(n1)C[N@H+](CC1CCOCC1)[C@H](c1ccccc1)C2 ZINC000257325650 190034336 /nfs/dbraw/zinc/03/43/36/190034336.db2.gz WTUPXEUYRBEFHH-KRWDZBQOSA-N 1 2 297.402 2.867 40 0 CFABLO Cc1csc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257342894 190037540 /nfs/dbraw/zinc/03/75/40/190037540.db2.gz ZQNBZHMECXXCAF-NSHDSACASA-N 1 2 275.377 2.718 40 0 CFABLO Fc1ccccc1CNC(=S)Nc1cc[nH+]cc1 ZINC000137858442 378229612 /nfs/dbraw/zinc/22/96/12/378229612.db2.gz NQCOCBRKRNEMMR-UHFFFAOYSA-N 1 2 261.325 2.707 40 0 CFABLO c1cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000195250721 382764976 /nfs/dbraw/zinc/76/49/76/382764976.db2.gz BIGYDQLSHPTYIN-AWEZNQCLSA-N 1 2 299.374 2.561 40 0 CFABLO C[C@H](COc1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225784670 382821523 /nfs/dbraw/zinc/82/15/23/382821523.db2.gz UUTYUMGIEXCTQF-GFCCVEGCSA-N 1 2 287.388 2.836 40 0 CFABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1CC1CC1 ZINC000257309402 383494799 /nfs/dbraw/zinc/49/47/99/383494799.db2.gz UAUUIOXOMAYKFC-OAHLLOKOSA-N 1 2 283.375 2.859 40 0 CFABLO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cnn(C)c2)no1 ZINC000019119481 393484078 /nfs/dbraw/zinc/48/40/78/393484078.db2.gz JLQFOYYZQZYTNJ-OAHLLOKOSA-N 1 2 274.368 2.834 40 0 CFABLO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cnn(C)c2)no1 ZINC000019119481 393484081 /nfs/dbraw/zinc/48/40/81/393484081.db2.gz JLQFOYYZQZYTNJ-OAHLLOKOSA-N 1 2 274.368 2.834 40 0 CFABLO COC(=O)[C@]1(C)[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000036056724 393522881 /nfs/dbraw/zinc/52/28/81/393522881.db2.gz YZEVDQWQFBFKNX-MRXNPFEDSA-N 1 2 273.376 2.923 40 0 CFABLO Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212369 393643426 /nfs/dbraw/zinc/64/34/26/393643426.db2.gz WOULPGXDNPPGGD-CQSZACIVSA-N 1 2 267.332 2.641 40 0 CFABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072212928 393643586 /nfs/dbraw/zinc/64/35/86/393643586.db2.gz ULFAGZKAVDYHCC-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCN1C=O)C(C)C ZINC000072213004 393643935 /nfs/dbraw/zinc/64/39/35/393643935.db2.gz RDJBZKWZFLYEOG-OAHLLOKOSA-N 1 2 275.396 2.998 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216035 393645149 /nfs/dbraw/zinc/64/51/49/393645149.db2.gz FITRELWYHWEJDL-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO O=CN1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216075 393645506 /nfs/dbraw/zinc/64/55/06/393645506.db2.gz NDTRDHWWMYFAQP-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1 ZINC000095534110 393812801 /nfs/dbraw/zinc/81/28/01/393812801.db2.gz SPVPJYNFLGWHCO-INIZCTEOSA-N 1 2 293.374 2.773 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1 ZINC000095534110 393812805 /nfs/dbraw/zinc/81/28/05/393812805.db2.gz SPVPJYNFLGWHCO-INIZCTEOSA-N 1 2 293.374 2.773 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1 ZINC000095534110 393812807 /nfs/dbraw/zinc/81/28/07/393812807.db2.gz SPVPJYNFLGWHCO-INIZCTEOSA-N 1 2 293.374 2.773 40 0 CFABLO Cc1cc(C)[nH+]c(C[C@H](O)c2ccc(C=O)cc2)c1 ZINC000005552696 170112467 /nfs/dbraw/zinc/11/24/67/170112467.db2.gz OSUIHIHSYGPSCR-INIZCTEOSA-N 1 2 255.317 2.787 40 0 CFABLO Cc1cc2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000020151149 171037857 /nfs/dbraw/zinc/03/78/57/171037857.db2.gz IVWSDQJRPOZMNQ-UHFFFAOYSA-N 1 2 288.416 2.968 40 0 CFABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000021984965 171345139 /nfs/dbraw/zinc/34/51/39/171345139.db2.gz QRQNVSYQXRMJLT-UHFFFAOYSA-N 1 2 294.370 2.878 40 0 CFABLO CNc1cccc(C2CCN(C(=O)c3cccnc3)CC2)[nH+]1 ZINC000072363902 176378237 /nfs/dbraw/zinc/37/82/37/176378237.db2.gz IUWZYAMKBVPZGL-UHFFFAOYSA-N 1 2 296.374 2.538 40 0 CFABLO CC(C)n1cc[nH+]c1CN1CCC[C@H]1c1cc[nH]n1 ZINC000072366829 176382018 /nfs/dbraw/zinc/38/20/18/176382018.db2.gz KFJDJWJKPQAYFZ-ZDUSSCGKSA-N 1 2 259.357 2.524 40 0 CFABLO Nc1[nH+]c2c(cc1C(=O)c1ccccc1)CCCC2 ZINC000095098410 303504085 /nfs/dbraw/zinc/50/40/85/303504085.db2.gz XIGLKCVCHGCPDO-UHFFFAOYSA-N 1 2 252.317 2.774 40 0 CFABLO S=C(NCCCc1ccco1)Nc1cc[nH+]cc1 ZINC000225805858 534458814 /nfs/dbraw/zinc/45/88/14/534458814.db2.gz FFSRYGRRPQTPGY-UHFFFAOYSA-N 1 2 261.350 2.594 40 0 CFABLO Cc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533335 185006909 /nfs/dbraw/zinc/00/69/09/185006909.db2.gz QGVPXKSEUFIZNO-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO Cc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533335 185006911 /nfs/dbraw/zinc/00/69/11/185006911.db2.gz QGVPXKSEUFIZNO-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096057794 185078733 /nfs/dbraw/zinc/07/87/33/185078733.db2.gz JXYHEUMFUROWNT-ARFHVFGLSA-N 1 2 279.355 2.594 40 0 CFABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000096057794 185078734 /nfs/dbraw/zinc/07/87/34/185078734.db2.gz JXYHEUMFUROWNT-ARFHVFGLSA-N 1 2 279.355 2.594 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060375 185080480 /nfs/dbraw/zinc/08/04/80/185080480.db2.gz RDLGOVPOGJDMSI-CYBMUJFWSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060375 185080482 /nfs/dbraw/zinc/08/04/82/185080482.db2.gz RDLGOVPOGJDMSI-CYBMUJFWSA-N 1 2 291.420 2.618 40 0 CFABLO Cc1cn2c(cccc2[C@H]2CCCN2C(=O)C(C)C)[nH+]1 ZINC000585182455 348737704 /nfs/dbraw/zinc/73/77/04/348737704.db2.gz WXXITRZYWQNOAR-CYBMUJFWSA-N 1 2 271.364 2.962 40 0 CFABLO CCNc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000329042604 202164323 /nfs/dbraw/zinc/16/43/23/202164323.db2.gz SOXPBBZIGYXXMK-UHFFFAOYSA-N 1 2 272.327 2.512 40 0 CFABLO Cc1cccc(C)c1Nc1[nH+]cnc2c1cnn2C ZINC000001718465 371701558 /nfs/dbraw/zinc/70/15/58/371701558.db2.gz YHRBCIYRLKYUFR-UHFFFAOYSA-N 1 2 253.309 2.724 40 0 CFABLO Cc1cc(C)c(CNC(=O)c2cccc(F)c2)c[nH+]1 ZINC000013534156 372031948 /nfs/dbraw/zinc/03/19/48/372031948.db2.gz WGDCTMDSALJPPE-UHFFFAOYSA-N 1 2 258.296 2.768 40 0 CFABLO O=C(NCCc1c[nH+]c[nH]1)Nc1cccc2ccccc21 ZINC000016544959 372108309 /nfs/dbraw/zinc/10/83/09/372108309.db2.gz SOJLCRYWWIXHKP-UHFFFAOYSA-N 1 2 280.331 2.927 40 0 CFABLO O=C(NCCc1c[nH]c[nH+]1)Nc1cccc2ccccc21 ZINC000016544959 372108314 /nfs/dbraw/zinc/10/83/14/372108314.db2.gz SOJLCRYWWIXHKP-UHFFFAOYSA-N 1 2 280.331 2.927 40 0 CFABLO Cc1nn(C)cc1-c1c[nH+]cn1CCOc1ccc(C)cc1 ZINC000019719429 372180280 /nfs/dbraw/zinc/18/02/80/372180280.db2.gz YMCQACSZKIBOOQ-UHFFFAOYSA-N 1 2 296.374 2.979 40 0 CFABLO c1ccc(CO[C@H]2[NH2+]CCN2Cc2ccccc2)cc1 ZINC000019319503 372154603 /nfs/dbraw/zinc/15/46/03/372154603.db2.gz WFGMVJBYUYKXKC-KRWDZBQOSA-N 1 2 268.360 2.592 40 0 in-vitro CFABLO Cc1cc(C[N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[nH]n1 ZINC000036752960 372589068 /nfs/dbraw/zinc/58/90/68/372589068.db2.gz YFVGPRXYXBPAAX-UHFFFAOYSA-N 1 2 299.353 2.675 40 0 CFABLO Cc1cc(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)[nH]n1 ZINC000036752960 372589073 /nfs/dbraw/zinc/58/90/73/372589073.db2.gz YFVGPRXYXBPAAX-UHFFFAOYSA-N 1 2 299.353 2.675 40 0 CFABLO CCSc1nc(N)cc(Nc2ccc(OC)cc2)[nH+]1 ZINC000049467515 373299398 /nfs/dbraw/zinc/29/93/98/373299398.db2.gz HUNUPXDVZAQKJG-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO CCSc1nc(Nc2ccc(OC)cc2)cc(N)[nH+]1 ZINC000049467515 373299405 /nfs/dbraw/zinc/29/94/05/373299405.db2.gz HUNUPXDVZAQKJG-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO CCSc1nc(Nc2cccc(OC)c2)cc(N)[nH+]1 ZINC000049467513 373299797 /nfs/dbraw/zinc/29/97/97/373299797.db2.gz KPDMGMBHGZSJFO-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO CCSc1nc(N)cc(Nc2cccc(OC)c2)[nH+]1 ZINC000049467513 373299804 /nfs/dbraw/zinc/29/98/04/373299804.db2.gz KPDMGMBHGZSJFO-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO CSc1nc(Nc2ccccc2F)cc(N)[nH+]1 ZINC000049467362 373300115 /nfs/dbraw/zinc/30/01/15/373300115.db2.gz LTIAAEMNBSDPFW-UHFFFAOYSA-N 1 2 250.302 2.663 40 0 CFABLO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000063994801 373817373 /nfs/dbraw/zinc/81/73/73/373817373.db2.gz BIGYDQLSHPTYIN-CQSZACIVSA-N 1 2 299.374 2.561 40 0 CFABLO c1cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH]n1 ZINC000063994801 373817376 /nfs/dbraw/zinc/81/73/76/373817376.db2.gz BIGYDQLSHPTYIN-CQSZACIVSA-N 1 2 299.374 2.561 40 0 CFABLO O=C(Cc1cccs1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069389711 374058326 /nfs/dbraw/zinc/05/83/26/374058326.db2.gz UOYGNXNIGAWSET-UHFFFAOYSA-N 1 2 297.383 2.793 40 0 CFABLO Cc1cc([C@H]2CCCN(c3cnccn3)C2)cc[nH+]1 ZINC000072380922 374248329 /nfs/dbraw/zinc/24/83/29/374248329.db2.gz IRHNWWOUIVWBES-AWEZNQCLSA-N 1 2 254.337 2.564 40 0 CFABLO CCOCc1ncn2c1C[N@H+](Cc1ccc(C)s1)CC2 ZINC000096260169 375481232 /nfs/dbraw/zinc/48/12/32/375481232.db2.gz JFLQFVBLEIDCTA-UHFFFAOYSA-N 1 2 291.420 2.805 40 0 CFABLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(C)s1)CC2 ZINC000096260169 375481239 /nfs/dbraw/zinc/48/12/39/375481239.db2.gz JFLQFVBLEIDCTA-UHFFFAOYSA-N 1 2 291.420 2.805 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cc(F)ccc2F)n1 ZINC000256050421 190003379 /nfs/dbraw/zinc/00/33/79/190003379.db2.gz DZAYUAFTDDCKLR-UHFFFAOYSA-N 1 2 265.307 2.861 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2ccccc2OC)n1 ZINC000256052382 190004396 /nfs/dbraw/zinc/00/43/96/190004396.db2.gz NCKBOEAKMJAIHJ-UHFFFAOYSA-N 1 2 259.353 2.592 40 0 CFABLO Cc1c(C[NH2+]Cc2ccn(CC(C)C)n2)cnn1C(C)C ZINC000256054893 190005588 /nfs/dbraw/zinc/00/55/88/190005588.db2.gz YFNXJDADLLHOSS-UHFFFAOYSA-N 1 2 289.427 2.915 40 0 CFABLO CCC(=O)N1CCC(c2cccc(-c3c[nH+]cn3C)n2)CC1 ZINC000257239447 190017454 /nfs/dbraw/zinc/01/74/54/190017454.db2.gz HPHFQAZUTQPBIU-UHFFFAOYSA-N 1 2 298.390 2.598 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(N)n3)C2)s1 ZINC000257279992 190025321 /nfs/dbraw/zinc/02/53/21/190025321.db2.gz OJBCNDIZBLKGIT-CQSZACIVSA-N 1 2 289.404 2.607 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(N)n3)C2)s1 ZINC000257279992 190025322 /nfs/dbraw/zinc/02/53/22/190025322.db2.gz OJBCNDIZBLKGIT-CQSZACIVSA-N 1 2 289.404 2.607 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257281676 190026462 /nfs/dbraw/zinc/02/64/62/190026462.db2.gz OQLHPZZJAULYJA-AWEZNQCLSA-N 1 2 299.374 2.826 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000257281676 190026463 /nfs/dbraw/zinc/02/64/63/190026463.db2.gz OQLHPZZJAULYJA-AWEZNQCLSA-N 1 2 299.374 2.826 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc(C)s3)C2)[nH+]1 ZINC000257286359 190026897 /nfs/dbraw/zinc/02/68/97/190026897.db2.gz PLGVSEBEZZQUQB-GFCCVEGCSA-N 1 2 289.404 2.647 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)o1 ZINC000257290293 190027596 /nfs/dbraw/zinc/02/75/96/190027596.db2.gz QCHVPGOSNMCJOY-HNNXBMFYSA-N 1 2 258.321 2.557 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccn3)C2)o1 ZINC000257290293 190027597 /nfs/dbraw/zinc/02/75/97/190027597.db2.gz QCHVPGOSNMCJOY-HNNXBMFYSA-N 1 2 258.321 2.557 40 0 CFABLO CC(=O)N1CC[C@H](Cc2cccc(NC3CCCC3)[nH+]2)C1 ZINC000257290642 190027949 /nfs/dbraw/zinc/02/79/49/190027949.db2.gz QDTRKSMVSRREIV-CQSZACIVSA-N 1 2 287.407 2.847 40 0 CFABLO CCC(=O)N1CCCC[C@H]1CCc1cccc(NC)[nH+]1 ZINC000257304630 190030659 /nfs/dbraw/zinc/03/06/59/190030659.db2.gz SMLDPLHODQJAGR-AWEZNQCLSA-N 1 2 275.396 2.847 40 0 CFABLO O=C(c1ccccn1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257321058 190033722 /nfs/dbraw/zinc/03/37/22/190033722.db2.gz VZXNNRDSUYUHPV-HNNXBMFYSA-N 1 2 292.342 2.707 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257340046 190037407 /nfs/dbraw/zinc/03/74/07/190037407.db2.gz ZEGNEVQKIZENIZ-LBPRGKRZSA-N 1 2 289.404 2.810 40 0 CFABLO CCOCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000253382115 383453034 /nfs/dbraw/zinc/45/30/34/383453034.db2.gz HACICHKSYLGLEW-HNNXBMFYSA-N 1 2 293.382 2.843 40 0 CFABLO CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213493 256712329 /nfs/dbraw/zinc/71/23/29/256712329.db2.gz UBIMIYZUEMEIBO-BXUZGUMPSA-N 1 2 261.369 2.975 40 0 CFABLO CC(C)N(c1ccc([C@@H]2CCCN2C=O)c[nH+]1)C(C)C ZINC000072212943 393643603 /nfs/dbraw/zinc/64/36/03/393643603.db2.gz JXUOHZNLMBTMJM-HNNXBMFYSA-N 1 2 275.396 2.998 40 0 CFABLO CCCNc1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213229 393644193 /nfs/dbraw/zinc/64/41/93/393644193.db2.gz BSLBGDUNDYNZRE-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO C[C@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225764 393647905 /nfs/dbraw/zinc/64/79/05/393647905.db2.gz TWBOZFBLBCJWMC-LBPRGKRZSA-N 1 2 254.333 2.698 40 0 CFABLO Clc1ccc2c(c1)N[C@H](c1ccccn1)N1CC[NH+]=C21 ZINC000012144174 397538323 /nfs/dbraw/zinc/53/83/23/397538323.db2.gz DUSGANNTWFOWNC-HNNXBMFYSA-N 1 2 284.750 2.922 40 0 CFABLO O[C@@](Cn1cc[nH+]c1)(c1cccnc1)C1CCCCC1 ZINC000018191449 296575293 /nfs/dbraw/zinc/57/52/93/296575293.db2.gz GYADUHIWAUEQFQ-MRXNPFEDSA-N 1 2 271.364 2.746 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000039953995 174177824 /nfs/dbraw/zinc/17/78/24/174177824.db2.gz AREYBAUQIHNEEM-ZDUSSCGKSA-N 1 2 278.352 2.860 40 0 CFABLO CCOC(=O)c1c[nH+]c2c(C)c(Cl)ccc2c1N ZINC000040165620 174197583 /nfs/dbraw/zinc/19/75/83/174197583.db2.gz IDMYOJOYUVTLBM-UHFFFAOYSA-N 1 2 264.712 2.956 40 0 CFABLO Cc1cc(C)nc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385585 176390648 /nfs/dbraw/zinc/39/06/48/176390648.db2.gz XMSFKFUTQOHDNC-ZDUSSCGKSA-N 1 2 269.352 2.533 40 0 CFABLO CC[NH+](CC)[C@@H]1COc2ccc(Br)cc2C1=O ZINC000055116635 276115270 /nfs/dbraw/zinc/11/52/70/276115270.db2.gz SPHKGFPKVLJEJA-LLVKDONJSA-N 1 2 298.180 2.735 40 0 CFABLO COC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000012398001 277061677 /nfs/dbraw/zinc/06/16/77/277061677.db2.gz HUASDZHTZUTIIK-LBPRGKRZSA-N 1 2 253.729 2.650 40 0 CFABLO COC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000012398001 277061678 /nfs/dbraw/zinc/06/16/78/277061678.db2.gz HUASDZHTZUTIIK-LBPRGKRZSA-N 1 2 253.729 2.650 40 0 CFABLO CCCc1[nH+]c(C)c2c(C)nc3ccc(OC)nc3n12 ZINC000043206679 278989087 /nfs/dbraw/zinc/98/90/87/278989087.db2.gz YNADXFWEXJTQSZ-UHFFFAOYSA-N 1 2 270.336 2.855 40 0 in-vitro CFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257340045 279000227 /nfs/dbraw/zinc/00/02/27/279000227.db2.gz ZEGNEVQKIZENIZ-GFCCVEGCSA-N 1 2 289.404 2.810 40 0 CFABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2NC1CC1 ZINC000072238781 281332156 /nfs/dbraw/zinc/33/21/56/281332156.db2.gz BQBOVJBDFQVODF-UHFFFAOYSA-N 1 2 265.320 2.698 40 0 CFABLO CCCCn1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c(C)n1 ZINC000585181902 348738093 /nfs/dbraw/zinc/73/80/93/348738093.db2.gz GIEKDUGHGZOZBT-CQSZACIVSA-N 1 2 287.411 2.704 40 0 CFABLO CCNc1nc(Nc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000328981954 202139007 /nfs/dbraw/zinc/13/90/07/202139007.db2.gz GXAULJKTXHZUCH-UHFFFAOYSA-N 1 2 268.364 2.682 40 0 CFABLO CNc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328982047 202139529 /nfs/dbraw/zinc/13/95/29/202139529.db2.gz GXOJATARMBYXAD-UHFFFAOYSA-N 1 2 256.353 2.818 40 0 CFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1 ZINC000329071955 202179341 /nfs/dbraw/zinc/17/93/41/202179341.db2.gz ZTZZLERQTOLBRC-UHFFFAOYSA-N 1 2 298.390 2.622 40 0 CFABLO Cc1ccc(CN(Cc2c[nH+]cn2C)C[C@@H]2CCCO2)o1 ZINC000012147096 371945963 /nfs/dbraw/zinc/94/59/63/371945963.db2.gz JWIFJDUYCKLJNB-HNNXBMFYSA-N 1 2 289.379 2.503 40 0 CFABLO Fc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000013837260 372051183 /nfs/dbraw/zinc/05/11/83/372051183.db2.gz ZFDQAPREACNCSY-UHFFFAOYSA-N 1 2 261.325 2.707 40 0 CFABLO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)C(C)(C)C ZINC000019451455 372164529 /nfs/dbraw/zinc/16/45/29/372164529.db2.gz FXEHTNPZBFKVDX-OAHLLOKOSA-N 1 2 292.423 2.995 40 0 CFABLO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)C(C)(C)C ZINC000019451455 372164535 /nfs/dbraw/zinc/16/45/35/372164535.db2.gz FXEHTNPZBFKVDX-OAHLLOKOSA-N 1 2 292.423 2.995 40 0 CFABLO COc1cccc(Nc2cc(N)[nH+]c(SC)n2)c1 ZINC000049467396 373298851 /nfs/dbraw/zinc/29/88/51/373298851.db2.gz MJQXQNGSJWCGNI-UHFFFAOYSA-N 1 2 262.338 2.533 40 0 CFABLO COc1cccc(Nc2cc(N)nc(SC)[nH+]2)c1 ZINC000049467396 373298864 /nfs/dbraw/zinc/29/88/64/373298864.db2.gz MJQXQNGSJWCGNI-UHFFFAOYSA-N 1 2 262.338 2.533 40 0 CFABLO O=C(c1ccoc1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198916 375476884 /nfs/dbraw/zinc/47/68/84/375476884.db2.gz BPMWYODUFIWBGM-UHFFFAOYSA-N 1 2 297.358 2.547 40 0 CFABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256049806 190002918 /nfs/dbraw/zinc/00/29/18/190002918.db2.gz BNAAILJNZJDHBD-CYBMUJFWSA-N 1 2 275.400 2.921 40 0 CFABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050062 190003064 /nfs/dbraw/zinc/00/30/64/190003064.db2.gz CMMBYUUMOATFDO-LLVKDONJSA-N 1 2 297.353 2.606 40 0 CFABLO CC(C)n1ccc(C[NH2+]Cc2ccnn2C(C)C)n1 ZINC000256050244 190003089 /nfs/dbraw/zinc/00/30/89/190003089.db2.gz DGWZOIVQLQFDDS-UHFFFAOYSA-N 1 2 261.373 2.531 40 0 CFABLO CCn1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2C)n1 ZINC000256051149 190003706 /nfs/dbraw/zinc/00/37/06/190003706.db2.gz HYYPWQQMARQRPI-UHFFFAOYSA-N 1 2 287.411 2.813 40 0 CFABLO Fc1ccc(F)c(C[NH2+]Cc2ccn(C(F)F)n2)c1 ZINC000256051221 190003813 /nfs/dbraw/zinc/00/38/13/190003813.db2.gz IGNGOTUOAOBZIM-UHFFFAOYSA-N 1 2 273.233 2.846 40 0 CFABLO CCn1ccc(C[NH2+]Cc2cc(C3CC3)nn2C(C)C)n1 ZINC000256052705 190004100 /nfs/dbraw/zinc/00/41/00/190004100.db2.gz OIIGLNZARQSPIV-UHFFFAOYSA-N 1 2 287.411 2.848 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)[nH+]1 ZINC000257204000 190011315 /nfs/dbraw/zinc/01/13/15/190011315.db2.gz ASOWJJTUXFOWBK-LBPRGKRZSA-N 1 2 297.349 2.860 40 0 CFABLO Cc1csc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)c1 ZINC000257211267 190012234 /nfs/dbraw/zinc/01/22/34/190012234.db2.gz BYFCUBSQTJHOCE-GFCCVEGCSA-N 1 2 289.404 2.728 40 0 CFABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257226344 190015449 /nfs/dbraw/zinc/01/54/49/190015449.db2.gz FKHMZBGYIRIKGK-OAHLLOKOSA-N 1 2 299.374 2.633 40 0 CFABLO COc1ccc(CC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257226343 190015158 /nfs/dbraw/zinc/01/51/58/190015158.db2.gz FKHMZBGYIRIKGK-HNNXBMFYSA-N 1 2 299.374 2.633 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257246638 190019206 /nfs/dbraw/zinc/01/92/06/190019206.db2.gz IVBDEQCGDQUNST-GFCCVEGCSA-N 1 2 275.377 2.686 40 0 CFABLO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257283036 190026227 /nfs/dbraw/zinc/02/62/27/190026227.db2.gz OWNPMNHADZGAMM-KRWDZBQOSA-N 1 2 295.386 2.519 40 0 CFABLO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257283036 190026228 /nfs/dbraw/zinc/02/62/28/190026228.db2.gz OWNPMNHADZGAMM-KRWDZBQOSA-N 1 2 295.386 2.519 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000257282615 190026258 /nfs/dbraw/zinc/02/62/58/190026258.db2.gz OUMOYNQVSHTDHX-ZDUSSCGKSA-N 1 2 273.384 2.567 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000257282615 190026259 /nfs/dbraw/zinc/02/62/59/190026259.db2.gz OUMOYNQVSHTDHX-ZDUSSCGKSA-N 1 2 273.384 2.567 40 0 CFABLO CNc1cncc([C@@H]2CCCN2c2ccc(C)c[nH+]2)n1 ZINC000257292721 190027911 /nfs/dbraw/zinc/02/79/11/190027911.db2.gz QMRQFDLHDMREAG-ZDUSSCGKSA-N 1 2 269.352 2.563 40 0 CFABLO C[NH+]1CCC2(CO[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257323662 190034009 /nfs/dbraw/zinc/03/40/09/190034009.db2.gz WLHBPGVAPKIFEC-OAHLLOKOSA-N 1 2 263.356 2.869 40 0 CFABLO CN(N)c1[nH+]cc(C(Cl)(Cl)Cl)cc1Cl ZINC000199542954 382772125 /nfs/dbraw/zinc/77/21/25/382772125.db2.gz ICOZPSAPMWCOAW-UHFFFAOYSA-N 1 2 274.966 2.872 40 0 CFABLO CCOc1cccc(CNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225441207 382816207 /nfs/dbraw/zinc/81/62/07/382816207.db2.gz XVOZKOIDCJIDFV-UHFFFAOYSA-N 1 2 287.388 2.967 40 0 CFABLO Cc1cc(CC2CCN(c3ccncn3)CC2)cc[nH+]1 ZINC000257242213 383492954 /nfs/dbraw/zinc/49/29/54/383492954.db2.gz IBNSADWSMUKGSK-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO CN(C(=O)c1ccccc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257249840 383493356 /nfs/dbraw/zinc/49/33/56/383493356.db2.gz JJZBVOMVWINAPG-MRXNPFEDSA-N 1 2 295.386 2.823 40 0 CFABLO Cc1n[nH]cc1CN1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257238792 383493777 /nfs/dbraw/zinc/49/37/77/383493777.db2.gz HMNYILLNVSAAQY-INIZCTEOSA-N 1 2 293.374 2.672 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000257295095 383494945 /nfs/dbraw/zinc/49/49/45/383494945.db2.gz QWYUPHABZOKZFR-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000257295095 383494948 /nfs/dbraw/zinc/49/49/48/383494948.db2.gz QWYUPHABZOKZFR-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000257295095 383494951 /nfs/dbraw/zinc/49/49/51/383494951.db2.gz QWYUPHABZOKZFR-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000257295095 383494954 /nfs/dbraw/zinc/49/49/54/383494954.db2.gz QWYUPHABZOKZFR-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072213562 393645185 /nfs/dbraw/zinc/64/51/85/393645185.db2.gz WXNFDOYEBQVHBN-JSGCOSHPSA-N 1 2 261.369 2.975 40 0 CFABLO O=CN1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216074 393645425 /nfs/dbraw/zinc/64/54/25/393645425.db2.gz NDTRDHWWMYFAQP-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO O=C(NCCCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000198348879 393746915 /nfs/dbraw/zinc/74/69/15/393746915.db2.gz XXTOZACGXKAKHN-UHFFFAOYSA-N 1 2 283.375 2.582 40 0 CFABLO [NH3+][C@H](Cc1ccccc1)c1nnc(CNc2ccccc2)[nH]1 ZINC000095534859 393812993 /nfs/dbraw/zinc/81/29/93/393812993.db2.gz SBCAJQUTIWVARH-OAHLLOKOSA-N 1 2 293.374 2.659 40 0 CFABLO [NH3+][C@H](Cc1ccccc1)c1n[nH]c(CNc2ccccc2)n1 ZINC000095534859 393812995 /nfs/dbraw/zinc/81/29/95/393812995.db2.gz SBCAJQUTIWVARH-OAHLLOKOSA-N 1 2 293.374 2.659 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)c1 ZINC000095533602 393813355 /nfs/dbraw/zinc/81/33/55/393813355.db2.gz GNTZIOYBMJLHOF-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO Clc1ccc(NCCc2[nH]c3ccccc3[nH+]2)nn1 ZINC000008701427 170347076 /nfs/dbraw/zinc/34/70/76/170347076.db2.gz UHCGGRYKJWEXJP-UHFFFAOYSA-N 1 2 273.727 2.661 40 0 CFABLO CCOCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040405093 174254118 /nfs/dbraw/zinc/25/41/18/174254118.db2.gz VYBDUOFMGZODLZ-UHFFFAOYSA-N 1 2 282.771 2.651 40 0 CFABLO Cc1ccc(C2(O)CCN(c3cc(C)[nH+]cn3)CC2)cc1 ZINC000072351166 176374192 /nfs/dbraw/zinc/37/41/92/176374192.db2.gz KDIZXWDFAJLOHJ-UHFFFAOYSA-N 1 2 283.375 2.581 40 0 CFABLO CCC[C@H]1[NH+]=C(SC)N(C)C(C)=C1C(=O)OCC ZINC000408729059 260030535 /nfs/dbraw/zinc/03/05/35/260030535.db2.gz AIKJTVBNBCIHLO-SNVBAGLBSA-N 1 2 270.398 2.657 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN2Cc2csc(C)n2)[nH+]1 ZINC000257218760 279000158 /nfs/dbraw/zinc/00/01/58/279000158.db2.gz DEIFXJVTGJYNHZ-ZDUSSCGKSA-N 1 2 276.409 2.831 40 0 CFABLO Clc1cc(I)cc2[nH+]ccn21 ZINC000089202339 294101143 /nfs/dbraw/zinc/10/11/43/294101143.db2.gz VLUBNJIGPOGJAK-UHFFFAOYSA-N 1 2 278.480 2.592 40 0 CFABLO Cc1cc(C)nc([C@H]2CCCCN2c2cc(C)[nH+]cn2)n1 ZINC000072364149 301333833 /nfs/dbraw/zinc/33/38/33/301333833.db2.gz LVUVLVRTOQMZIR-CQSZACIVSA-N 1 2 283.379 2.923 40 0 CFABLO O=C(CC1CCCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130616939 534823789 /nfs/dbraw/zinc/82/37/89/534823789.db2.gz LCWLSOVRUYDRKS-OAHLLOKOSA-N 1 2 287.407 2.747 40 0 CFABLO Cn1c(CCCCCO)[nH+]c2cccc(Cl)c21 ZINC000095532034 185005255 /nfs/dbraw/zinc/00/52/55/185005255.db2.gz YYPQPXKLVDSBTG-UHFFFAOYSA-N 1 2 252.745 2.932 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1 ZINC000095534099 185005705 /nfs/dbraw/zinc/00/57/05/185005705.db2.gz VGEFKHMSJDKHPR-CQSZACIVSA-N 1 2 280.331 2.534 40 0 CFABLO [NH3+][C@H](c1nnc(-c2cccc(F)c2)[nH]1)c1ccc(F)cc1 ZINC000095533339 185006827 /nfs/dbraw/zinc/00/68/27/185006827.db2.gz FGVZSQWDIIEMNI-ZDUSSCGKSA-N 1 2 286.285 2.798 40 0 CFABLO [NH3+][C@H](c1n[nH]c(-c2cccc(F)c2)n1)c1ccc(F)cc1 ZINC000095533339 185006828 /nfs/dbraw/zinc/00/68/28/185006828.db2.gz FGVZSQWDIIEMNI-ZDUSSCGKSA-N 1 2 286.285 2.798 40 0 CFABLO Cc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533334 185007146 /nfs/dbraw/zinc/00/71/46/185007146.db2.gz QGVPXKSEUFIZNO-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO Cc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533334 185007147 /nfs/dbraw/zinc/00/71/47/185007147.db2.gz QGVPXKSEUFIZNO-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO CO[C@@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585279429 348738876 /nfs/dbraw/zinc/73/88/76/348738876.db2.gz MDDDGYJCJUQLJH-SJLPKXTDSA-N 1 2 299.418 2.798 40 0 CFABLO CO[C@@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585279429 348738877 /nfs/dbraw/zinc/73/88/77/348738877.db2.gz MDDDGYJCJUQLJH-SJLPKXTDSA-N 1 2 299.418 2.798 40 0 CFABLO CCNc1nc(Nc2ccc(O)cc2)cc(C2CC2)[nH+]1 ZINC000328988400 202141780 /nfs/dbraw/zinc/14/17/80/202141780.db2.gz IGQUZRKJPAYLLO-UHFFFAOYSA-N 1 2 270.336 2.657 40 0 CFABLO Cc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(O)cc3O)cc2c1 ZINC000012144339 371945678 /nfs/dbraw/zinc/94/56/78/371945678.db2.gz FVNJLAGROZBWNH-UHFFFAOYSA-N 1 2 296.326 2.860 40 0 CFABLO CCSC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000031666579 372413808 /nfs/dbraw/zinc/41/38/08/372413808.db2.gz RNKOLBWIYQQSGG-UHFFFAOYSA-N 1 2 266.410 2.528 40 0 CFABLO CCOc1ccc(Nc2cc(N)nc(SC)[nH+]2)cc1 ZINC000049467404 373299680 /nfs/dbraw/zinc/29/96/80/373299680.db2.gz QSLAJQFCBUFRCB-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO CCOc1ccc(Nc2cc(N)[nH+]c(SC)n2)cc1 ZINC000049467404 373299687 /nfs/dbraw/zinc/29/96/87/373299687.db2.gz QSLAJQFCBUFRCB-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO COCCc1nc(Nc2ccc(C)c(Cl)c2)cc(N)[nH+]1 ZINC000049467734 373302135 /nfs/dbraw/zinc/30/21/35/373302135.db2.gz YHUPBAPVYAVNBJ-UHFFFAOYSA-N 1 2 292.770 2.953 40 0 CFABLO COCCc1nc(N)cc(Nc2ccc(C)c(Cl)c2)[nH+]1 ZINC000049467734 373302144 /nfs/dbraw/zinc/30/21/44/373302144.db2.gz YHUPBAPVYAVNBJ-UHFFFAOYSA-N 1 2 292.770 2.953 40 0 CFABLO CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096244860 375482110 /nfs/dbraw/zinc/48/21/10/375482110.db2.gz RERNFYCIMYFUNB-UKRRQHHQSA-N 1 2 292.810 2.639 40 0 CFABLO CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096244860 375482112 /nfs/dbraw/zinc/48/21/12/375482112.db2.gz RERNFYCIMYFUNB-UKRRQHHQSA-N 1 2 292.810 2.639 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257216279 190014020 /nfs/dbraw/zinc/01/40/20/190014020.db2.gz CTVNOCDTUDCQGG-CYBMUJFWSA-N 1 2 289.404 2.728 40 0 CFABLO CCC(=O)N1CCC[C@@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257208993 190012282 /nfs/dbraw/zinc/01/22/82/190012282.db2.gz BOMMXTKLCZOVOY-CYBMUJFWSA-N 1 2 271.364 2.759 40 0 CFABLO Cc1cc(CC2CCN(C(=O)c3cccn3C)CC2)cc[nH+]1 ZINC000257216296 190013987 /nfs/dbraw/zinc/01/39/87/190013987.db2.gz CTWYIRPCBVAVRW-UHFFFAOYSA-N 1 2 297.402 2.823 40 0 CFABLO CNc1cc([C@@H]2CCCN2c2ccnc(C)n2)cc[nH+]1 ZINC000257226701 190015808 /nfs/dbraw/zinc/01/58/08/190015808.db2.gz FLTLVNDNSVUVPB-ZDUSSCGKSA-N 1 2 269.352 2.563 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3cccs3)C2)[nH+]1 ZINC000257220862 190014974 /nfs/dbraw/zinc/01/49/74/190014974.db2.gz DMMGRYRBGFWUBA-LBPRGKRZSA-N 1 2 289.404 2.728 40 0 CFABLO O=C(c1cccnc1)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257240671 190018440 /nfs/dbraw/zinc/01/84/40/190018440.db2.gz HUPUOBRKMJRALH-HNNXBMFYSA-N 1 2 292.342 2.707 40 0 CFABLO Cc1nc(C[NH+]2CC3(C2)CO[C@H](Cc2ccccc2)C3)co1 ZINC000257270800 190023656 /nfs/dbraw/zinc/02/36/56/190023656.db2.gz MVSIAIUUSLJALY-QGZVFWFLSA-N 1 2 298.386 2.817 40 0 CFABLO Cc1ncsc1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257253258 190021151 /nfs/dbraw/zinc/02/11/51/190021151.db2.gz JYECSQTWMWCTRY-HNNXBMFYSA-N 1 2 287.432 2.940 40 0 CFABLO Cc1ncsc1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257253258 190021152 /nfs/dbraw/zinc/02/11/52/190021152.db2.gz JYECSQTWMWCTRY-HNNXBMFYSA-N 1 2 287.432 2.940 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)o1 ZINC000257290294 190027566 /nfs/dbraw/zinc/02/75/66/190027566.db2.gz QCHVPGOSNMCJOY-OAHLLOKOSA-N 1 2 258.321 2.557 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)o1 ZINC000257290294 190027567 /nfs/dbraw/zinc/02/75/67/190027567.db2.gz QCHVPGOSNMCJOY-OAHLLOKOSA-N 1 2 258.321 2.557 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257293138 190028283 /nfs/dbraw/zinc/02/82/83/190028283.db2.gz QOHIWNXVQCPLSH-LBPRGKRZSA-N 1 2 275.377 2.767 40 0 CFABLO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[NH2+]C2)n1 ZINC000257324823 190033953 /nfs/dbraw/zinc/03/39/53/190033953.db2.gz WQIRUXPHJCJOBM-LBPRGKRZSA-N 1 2 257.337 2.505 40 0 CFABLO Cc1ccccc1CNC(=S)Nc1cc[nH+]cc1 ZINC000140339835 378237464 /nfs/dbraw/zinc/23/74/64/378237464.db2.gz YIOHFJVQHPASDJ-UHFFFAOYSA-N 1 2 257.362 2.877 40 0 CFABLO CNc1cc(N2Cc3ccccc3CC2(C)C)nc[nH+]1 ZINC000329038187 378447282 /nfs/dbraw/zinc/44/72/82/378447282.db2.gz RSHYNRHCPRJGDL-UHFFFAOYSA-N 1 2 268.364 2.860 40 0 CFABLO CNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]cn1 ZINC000329038187 378447284 /nfs/dbraw/zinc/44/72/84/378447284.db2.gz RSHYNRHCPRJGDL-UHFFFAOYSA-N 1 2 268.364 2.860 40 0 CFABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccccc3Cl)C2)C1 ZINC000247985323 383204614 /nfs/dbraw/zinc/20/46/14/383204614.db2.gz YUYBVILWDKOIFK-CYBMUJFWSA-N 1 2 281.783 2.720 40 0 CFABLO c1cc2nc([C@@H]3CCCC[N@H+]3Cc3cncs3)ccn2n1 ZINC000257331198 383494735 /nfs/dbraw/zinc/49/47/35/383494735.db2.gz XRUKEPRZLVLPKA-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO c1cc2nc([C@@H]3CCCC[N@@H+]3Cc3cncs3)ccn2n1 ZINC000257331198 383494738 /nfs/dbraw/zinc/49/47/38/383494738.db2.gz XRUKEPRZLVLPKA-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1N(C)C ZINC000064874834 393631830 /nfs/dbraw/zinc/63/18/30/393631830.db2.gz JIDTVVONLNRAGA-UHFFFAOYSA-N 1 2 276.311 2.925 40 0 CFABLO CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213492 393643478 /nfs/dbraw/zinc/64/34/78/393643478.db2.gz UBIMIYZUEMEIBO-FZMZJTMJSA-N 1 2 261.369 2.975 40 0 CFABLO CCN(C)c1ccc([C@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072212751 393644150 /nfs/dbraw/zinc/64/41/50/393644150.db2.gz MNPDLKUFXHLTJG-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072213563 393644952 /nfs/dbraw/zinc/64/49/52/393644952.db2.gz WXNFDOYEBQVHBN-TZMCWYRMSA-N 1 2 261.369 2.975 40 0 CFABLO CC[C@H](C)Nc1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213494 393645477 /nfs/dbraw/zinc/64/54/77/393645477.db2.gz UBIMIYZUEMEIBO-SMDDNHRTSA-N 1 2 261.369 2.975 40 0 CFABLO COc1cc2c(cc1OC)C(=O)[C@H](C1CCCCC1)[NH2+]C2 ZINC000001728751 286257777 /nfs/dbraw/zinc/25/77/77/286257777.db2.gz VWKKXPXVQJRIBE-INIZCTEOSA-N 1 2 289.375 2.939 40 0 CFABLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=S)NCCCn1cc[nH+]c1 ZINC000006628328 170220440 /nfs/dbraw/zinc/22/04/40/170220440.db2.gz IZFSKXIHZCMFPI-MJBXVCDLSA-N 1 2 294.468 2.562 40 0 CFABLO Nc1c(C(=[NH2+])Nc2ccccc2)cnn1-c1ccccc1 ZINC000020799520 171272893 /nfs/dbraw/zinc/27/28/93/171272893.db2.gz OVURNLMKTRTBJS-UHFFFAOYSA-N 1 2 277.331 2.892 40 0 CFABLO CC(C)(C)OC(=O)N1CC[C@H](COc2cc[nH+]cc2)C1 ZINC000039954474 174178274 /nfs/dbraw/zinc/17/82/74/174178274.db2.gz ZTIUZKHEVUPMOR-LBPRGKRZSA-N 1 2 278.352 2.717 40 0 CFABLO O=C(Cc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044899971 175274532 /nfs/dbraw/zinc/27/45/32/175274532.db2.gz WYCIFCPCPOVUER-UHFFFAOYSA-N 1 2 291.354 2.731 40 0 CFABLO CCc1[nH]c2ccc(NC(=O)C[C@H](C)n3cccn3)cc2[nH+]1 ZINC000072398293 176396385 /nfs/dbraw/zinc/39/63/85/176396385.db2.gz JDMZWDKPXSKAPY-NSHDSACASA-N 1 2 297.362 2.912 40 0 CFABLO CCC(=O)Nc1cc([NH+]2CCCCC2)c(C)cc1N ZINC000216864426 262341157 /nfs/dbraw/zinc/34/11/57/262341157.db2.gz XNLKQVGETFPCHW-UHFFFAOYSA-N 1 2 261.369 2.916 40 0 CFABLO Cc1cc(N2CCCC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103277 278708659 /nfs/dbraw/zinc/70/86/59/278708659.db2.gz MDYQRDWVNUPOAX-UHFFFAOYSA-N 1 2 254.337 2.634 40 0 CFABLO O=C(CC1CCCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130616713 534824060 /nfs/dbraw/zinc/82/40/60/534824060.db2.gz LCWLSOVRUYDRKS-HNNXBMFYSA-N 1 2 287.407 2.747 40 0 CFABLO CNc1nc(Nc2ccc(C)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329066597 570338263 /nfs/dbraw/zinc/33/82/63/570338263.db2.gz YBUUTYFANLRTPN-UHFFFAOYSA-N 1 2 288.782 2.945 40 0 CFABLO Cc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533467 185006496 /nfs/dbraw/zinc/00/64/96/185006496.db2.gz PXOMJRFYQZJQLQ-AWEZNQCLSA-N 1 2 264.332 2.828 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000095533498 185007345 /nfs/dbraw/zinc/00/73/45/185007345.db2.gz BFXFFNKBRXXJQW-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000095533498 185007347 /nfs/dbraw/zinc/00/73/47/185007347.db2.gz BFXFFNKBRXXJQW-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO CC(C)[C@@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534701 185007413 /nfs/dbraw/zinc/00/74/13/185007413.db2.gz ZTOYTMGWVYRMMP-GFCCVEGCSA-N 1 2 280.759 2.693 40 0 CFABLO [NH3+][C@H](Cc1ccccc1)c1nnc(COc2ccccc2)[nH]1 ZINC000095534825 185008666 /nfs/dbraw/zinc/00/86/66/185008666.db2.gz JXUNOUMUESNONX-OAHLLOKOSA-N 1 2 294.358 2.626 40 0 CFABLO COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000095738946 185023650 /nfs/dbraw/zinc/02/36/50/185023650.db2.gz XGQOUBQTFXRINM-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO CC(C)OCc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096059041 185078678 /nfs/dbraw/zinc/07/86/78/185078678.db2.gz LRGCBLHJXKMZSW-UHFFFAOYSA-N 1 2 289.379 2.807 40 0 CFABLO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096059041 185078679 /nfs/dbraw/zinc/07/86/79/185078679.db2.gz LRGCBLHJXKMZSW-UHFFFAOYSA-N 1 2 289.379 2.807 40 0 CFABLO CC(C)[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 ZINC000096112230 185101120 /nfs/dbraw/zinc/10/11/20/185101120.db2.gz ZOTYBZXFKSMEQT-RISCZKNCSA-N 1 2 295.333 2.649 40 0 biogenic,in-vitro CFABLO CC(C)[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 ZINC000096112230 185101122 /nfs/dbraw/zinc/10/11/22/185101122.db2.gz ZOTYBZXFKSMEQT-RISCZKNCSA-N 1 2 295.333 2.649 40 0 biogenic,in-vitro CFABLO CCC(=O)N1CCCC[C@@H]1CCc1cccc(N(C)C)[nH+]1 ZINC000585178921 348737890 /nfs/dbraw/zinc/73/78/90/348737890.db2.gz OYKPAWCFUPQRPR-OAHLLOKOSA-N 1 2 289.423 2.871 40 0 CFABLO Cc1cn2c(cccc2[C@@H]2CCCN2C(=O)C(C)C)[nH+]1 ZINC000585182456 348738182 /nfs/dbraw/zinc/73/81/82/348738182.db2.gz WXXITRZYWQNOAR-ZDUSSCGKSA-N 1 2 271.364 2.962 40 0 CFABLO COc1cccc(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000106303765 186107212 /nfs/dbraw/zinc/10/72/12/186107212.db2.gz JOVSZNGKUGKUBW-UHFFFAOYSA-N 1 2 282.343 2.650 40 0 CFABLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000111193992 186367964 /nfs/dbraw/zinc/36/79/64/186367964.db2.gz RXLIKSVXVGDGAV-CQSZACIVSA-N 1 2 257.337 2.755 40 0 CFABLO COc1ccc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000111193992 186367966 /nfs/dbraw/zinc/36/79/66/186367966.db2.gz RXLIKSVXVGDGAV-CQSZACIVSA-N 1 2 257.337 2.755 40 0 CFABLO C[C@@H](COc1ccccc1)NC(=S)Nc1cc[nH+]cc1 ZINC000225784648 189765001 /nfs/dbraw/zinc/76/50/01/189765001.db2.gz UUTYUMGIEXCTQF-LBPRGKRZSA-N 1 2 287.388 2.836 40 0 CFABLO O=C(NC1=[NH+]CCS1)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000016778752 372119808 /nfs/dbraw/zinc/11/98/08/372119808.db2.gz MDEASSOXMDESDA-QOARYFPJSA-N 1 2 278.421 2.812 40 0 CFABLO CC(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379350 372258200 /nfs/dbraw/zinc/25/82/00/372258200.db2.gz ARJCZMZSZHXCHT-RMKNXTFCSA-N 1 2 272.392 2.500 40 0 CFABLO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2)n[nH]1 ZINC000042013480 372870047 /nfs/dbraw/zinc/87/00/47/372870047.db2.gz XRHLBWHTBQIMOC-AWEZNQCLSA-N 1 2 264.332 2.714 40 0 CFABLO CC(=O)c1cccc(Nc2cc(N)nc(C3CC3)[nH+]2)c1 ZINC000049467649 373299868 /nfs/dbraw/zinc/29/98/68/373299868.db2.gz MVQGTWXKNRZDHL-UHFFFAOYSA-N 1 2 268.320 2.882 40 0 CFABLO Cc1nc(N2CCC[C@H](Cc3cccnc3)C2)cc[nH+]1 ZINC000072385852 374249623 /nfs/dbraw/zinc/24/96/23/374249623.db2.gz MJSUDVGHZMGHLU-OAHLLOKOSA-N 1 2 268.364 2.639 40 0 CFABLO C[NH+](C)Cc1c(F)cc(Br)cc1F ZINC000090411464 375012132 /nfs/dbraw/zinc/01/21/32/375012132.db2.gz OREQSTOGSPRULV-UHFFFAOYSA-N 1 2 250.086 2.789 40 0 CFABLO CC(C)n1ccc(C[NH2+]Cc2cnn(C(C)C)c2)n1 ZINC000256051872 190003931 /nfs/dbraw/zinc/00/39/31/190003931.db2.gz KVCBIJGFINVGFM-UHFFFAOYSA-N 1 2 261.373 2.531 40 0 CFABLO Fc1cc(F)cc(C[NH2+]Cc2ccn(CC(F)F)n2)c1 ZINC000256052467 190004251 /nfs/dbraw/zinc/00/42/51/190004251.db2.gz NLLIHVIXSDCCCX-UHFFFAOYSA-N 1 2 287.260 2.716 40 0 CFABLO CCn1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256054583 190005596 /nfs/dbraw/zinc/00/55/96/190005596.db2.gz WWTUPYPQVXKBSK-UHFFFAOYSA-N 1 2 273.384 2.504 40 0 CFABLO CCCCc1nc(C[NH+]2CCC(c3cnccn3)CC2)c[nH]1 ZINC000257212713 190013358 /nfs/dbraw/zinc/01/33/58/190013358.db2.gz CEQSLFXUASSPJK-UHFFFAOYSA-N 1 2 299.422 2.922 40 0 CFABLO CCCCc1ncc(C[NH+]2CCC(c3cnccn3)CC2)[nH]1 ZINC000257212713 190013359 /nfs/dbraw/zinc/01/33/59/190013359.db2.gz CEQSLFXUASSPJK-UHFFFAOYSA-N 1 2 299.422 2.922 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccc(C)nc2)n1 ZINC000257219473 190013885 /nfs/dbraw/zinc/01/38/85/190013885.db2.gz DGXDHFIXISYEMO-OAHLLOKOSA-N 1 2 270.380 2.769 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccc(C)nc2)n1 ZINC000257219473 190013886 /nfs/dbraw/zinc/01/38/86/190013886.db2.gz DGXDHFIXISYEMO-OAHLLOKOSA-N 1 2 270.380 2.769 40 0 CFABLO c1cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n[nH]1 ZINC000257218358 190013897 /nfs/dbraw/zinc/01/38/97/190013897.db2.gz DCVRCBKPQWMJNG-CQSZACIVSA-N 1 2 285.347 2.518 40 0 CFABLO c1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n[nH]1 ZINC000257218358 190013898 /nfs/dbraw/zinc/01/38/98/190013898.db2.gz DCVRCBKPQWMJNG-CQSZACIVSA-N 1 2 285.347 2.518 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257216980 190013934 /nfs/dbraw/zinc/01/39/34/190013934.db2.gz CWZDSGUYYBXHNW-LLVKDONJSA-N 1 2 261.350 2.757 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1n[nH]cc1C ZINC000257220561 190014529 /nfs/dbraw/zinc/01/45/29/190014529.db2.gz DLFKMAZCSBXUIM-AWEZNQCLSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1n[nH]cc1C ZINC000257220561 190014530 /nfs/dbraw/zinc/01/45/30/190014530.db2.gz DLFKMAZCSBXUIM-AWEZNQCLSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1[nH]ncc1C ZINC000257220561 190014531 /nfs/dbraw/zinc/01/45/31/190014531.db2.gz DLFKMAZCSBXUIM-AWEZNQCLSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1[nH]ncc1C ZINC000257220561 190014532 /nfs/dbraw/zinc/01/45/32/190014532.db2.gz DLFKMAZCSBXUIM-AWEZNQCLSA-N 1 2 285.395 2.882 40 0 CFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)CC2CC2)cc[nH+]1 ZINC000257265298 190023313 /nfs/dbraw/zinc/02/33/13/190023313.db2.gz LYCHDIISAAMAFQ-AWEZNQCLSA-N 1 2 273.380 2.611 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257266055 190023460 /nfs/dbraw/zinc/02/34/60/190023460.db2.gz MBJWLKWTILLVNQ-GFCCVEGCSA-N 1 2 274.393 2.621 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257266055 190023461 /nfs/dbraw/zinc/02/34/61/190023461.db2.gz MBJWLKWTILLVNQ-GFCCVEGCSA-N 1 2 274.393 2.621 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH+]1 ZINC000257271449 190024229 /nfs/dbraw/zinc/02/42/29/190024229.db2.gz MYJQAIRXUWSBDO-CQSZACIVSA-N 1 2 299.374 2.503 40 0 CFABLO CNc1cncc([C@H]2CCCN2c2ccc(C)c[nH+]2)n1 ZINC000257292720 190027859 /nfs/dbraw/zinc/02/78/59/190027859.db2.gz QMRQFDLHDMREAG-CYBMUJFWSA-N 1 2 269.352 2.563 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000257294404 190028497 /nfs/dbraw/zinc/02/84/97/190028497.db2.gz QTZJCIRZJRYNSZ-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000257294404 190028498 /nfs/dbraw/zinc/02/84/98/190028498.db2.gz QTZJCIRZJRYNSZ-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257293608 190028727 /nfs/dbraw/zinc/02/87/27/190028727.db2.gz QQJDKOVUEAHIKY-QGZVFWFLSA-N 1 2 297.406 2.733 40 0 CFABLO CNc1cc(C)nc([C@@]2(C)CCC[N@H+]2Cc2ccncc2)n1 ZINC000257293608 190028728 /nfs/dbraw/zinc/02/87/28/190028728.db2.gz QQJDKOVUEAHIKY-QGZVFWFLSA-N 1 2 297.406 2.733 40 0 CFABLO CCC(=O)N1CCCC[C@@H]1CCc1cccc(NC)[nH+]1 ZINC000257304631 190030221 /nfs/dbraw/zinc/03/02/21/190030221.db2.gz SMLDPLHODQJAGR-CQSZACIVSA-N 1 2 275.396 2.847 40 0 CFABLO Cc1ccsc1C[N@@H+]1CCO[C@H](c2cnc(C)cn2)C1 ZINC000257326202 190034106 /nfs/dbraw/zinc/03/41/06/190034106.db2.gz WWGFZYIOLDSVJX-AWEZNQCLSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1ccsc1C[N@H+]1CCO[C@H](c2cnc(C)cn2)C1 ZINC000257326202 190034107 /nfs/dbraw/zinc/03/41/07/190034107.db2.gz WWGFZYIOLDSVJX-AWEZNQCLSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257334478 190036080 /nfs/dbraw/zinc/03/60/80/190036080.db2.gz YGBQVHFVVXLTIF-OAHLLOKOSA-N 1 2 272.327 2.656 40 0 CFABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257334478 190036081 /nfs/dbraw/zinc/03/60/81/190036081.db2.gz YGBQVHFVVXLTIF-OAHLLOKOSA-N 1 2 272.327 2.656 40 0 CFABLO CCOC(=O)C(F)(F)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000199566622 382771884 /nfs/dbraw/zinc/77/18/84/382771884.db2.gz ATTJCCOPLAVQTJ-SECBINFHSA-N 1 2 297.223 2.904 40 0 CFABLO c1cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n[nH]1 ZINC000257218357 383492992 /nfs/dbraw/zinc/49/29/92/383492992.db2.gz DCVRCBKPQWMJNG-AWEZNQCLSA-N 1 2 285.347 2.518 40 0 CFABLO c1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n[nH]1 ZINC000257218357 383492997 /nfs/dbraw/zinc/49/29/97/383492997.db2.gz DCVRCBKPQWMJNG-AWEZNQCLSA-N 1 2 285.347 2.518 40 0 CFABLO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCCC2)cc1 ZINC000020662054 393486310 /nfs/dbraw/zinc/48/63/10/393486310.db2.gz YKEKIPOMPGZHLE-UHFFFAOYSA-N 1 2 279.347 2.724 40 0 CFABLO C[C@H](Sc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045052480 393568252 /nfs/dbraw/zinc/56/82/52/393568252.db2.gz WONKOHPKEJAOOL-ZDUSSCGKSA-N 1 2 289.404 2.570 40 0 CFABLO CCN(CC)c1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212829 393643751 /nfs/dbraw/zinc/64/37/51/393643751.db2.gz NBYDBWQXKWEWCR-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO CCN(CC)c1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072212868 393643794 /nfs/dbraw/zinc/64/37/94/393643794.db2.gz MMIBYFIAZSWSBJ-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072213630 393645037 /nfs/dbraw/zinc/64/50/37/393645037.db2.gz CJFJXNFFEIIZME-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO Cn1c2ccc(C(F)(F)F)cc2[nH+]c1CCCO ZINC000040410251 174254424 /nfs/dbraw/zinc/25/44/24/174254424.db2.gz TUPWLJPHSONZSM-UHFFFAOYSA-N 1 2 258.243 2.517 40 0 CFABLO CCNc1nc(Nc2ccc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000328960594 521731431 /nfs/dbraw/zinc/73/14/31/521731431.db2.gz AZKBFEZDESQQDO-UHFFFAOYSA-N 1 2 290.317 2.651 40 0 CFABLO [NH3+][C@@H](c1nnc(-c2cccc(F)c2)[nH]1)c1ccc(F)cc1 ZINC000095533338 185007565 /nfs/dbraw/zinc/00/75/65/185007565.db2.gz FGVZSQWDIIEMNI-CYBMUJFWSA-N 1 2 286.285 2.798 40 0 CFABLO [NH3+][C@@H](c1n[nH]c(-c2cccc(F)c2)n1)c1ccc(F)cc1 ZINC000095533338 185007566 /nfs/dbraw/zinc/00/75/66/185007566.db2.gz FGVZSQWDIIEMNI-CYBMUJFWSA-N 1 2 286.285 2.798 40 0 CFABLO CCOC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccsc1 ZINC000096044478 185071352 /nfs/dbraw/zinc/07/13/52/185071352.db2.gz ZPEPYKSSPYKRRN-CQSZACIVSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccsc1 ZINC000096044478 185071354 /nfs/dbraw/zinc/07/13/54/185071354.db2.gz ZPEPYKSSPYKRRN-CQSZACIVSA-N 1 2 291.420 2.618 40 0 CFABLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000111193990 186367571 /nfs/dbraw/zinc/36/75/71/186367571.db2.gz RXLIKSVXVGDGAV-AWEZNQCLSA-N 1 2 257.337 2.755 40 0 CFABLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000111193990 186367573 /nfs/dbraw/zinc/36/75/73/186367573.db2.gz RXLIKSVXVGDGAV-AWEZNQCLSA-N 1 2 257.337 2.755 40 0 CFABLO CC(C)Nc1nc(Nc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328999979 202145736 /nfs/dbraw/zinc/14/57/36/202145736.db2.gz JXWRAXJQQSUZAM-UHFFFAOYSA-N 1 2 268.364 2.762 40 0 CFABLO CNc1nc(Nc2c(C)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329042594 202163896 /nfs/dbraw/zinc/16/38/96/202163896.db2.gz SORQWEVLJKUSSF-UHFFFAOYSA-N 1 2 288.782 2.945 40 0 CFABLO c1ccc(C[C@@H]2C[N@H+](Cc3cccnc3)CCO2)cc1 ZINC000181564341 189301346 /nfs/dbraw/zinc/30/13/46/189301346.db2.gz AKHYWAFLUSACLE-QGZVFWFLSA-N 1 2 268.360 2.525 40 0 CFABLO c1ccc(C[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)cc1 ZINC000181564341 189301347 /nfs/dbraw/zinc/30/13/47/189301347.db2.gz AKHYWAFLUSACLE-QGZVFWFLSA-N 1 2 268.360 2.525 40 0 CFABLO CCC[NH+](CCC)c1cccc(NS(C)(=O)=O)c1 ZINC000002562568 371738142 /nfs/dbraw/zinc/73/81/42/371738142.db2.gz QOXTXFUCRAHTRP-UHFFFAOYSA-N 1 2 270.398 2.685 40 0 CFABLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1cccnc1 ZINC000019586579 372176166 /nfs/dbraw/zinc/17/61/66/372176166.db2.gz PMTUGUJHMYYVJK-UHFFFAOYSA-N 1 2 252.321 2.590 40 0 CFABLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1cccnc1 ZINC000019586579 372176173 /nfs/dbraw/zinc/17/61/73/372176173.db2.gz PMTUGUJHMYYVJK-UHFFFAOYSA-N 1 2 252.321 2.590 40 0 CFABLO C[C@@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000033694464 372499890 /nfs/dbraw/zinc/49/98/90/372499890.db2.gz JFGFSGAITLXWHG-RHSMWYFYSA-N 1 2 299.370 2.662 40 0 CFABLO CCOC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000041079915 372810944 /nfs/dbraw/zinc/81/09/44/372810944.db2.gz DBHFDAVJMXMDPM-UHFFFAOYSA-N 1 2 262.353 2.826 40 0 CFABLO COC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000047916425 373130621 /nfs/dbraw/zinc/13/06/21/373130621.db2.gz BNMSHOZXGQXZJJ-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO Cc1ccc(C2(O)CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000072369048 374246715 /nfs/dbraw/zinc/24/67/15/374246715.db2.gz RMRDHTXSFPWCNV-UHFFFAOYSA-N 1 2 283.375 2.581 40 0 CFABLO CC(C)[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000073862350 374394621 /nfs/dbraw/zinc/39/46/21/374394621.db2.gz FWBRPHHESDIGPH-CYBMUJFWSA-N 1 2 271.364 2.706 40 0 CFABLO Fc1cccc(C[NH2+]Cc2ccn(CC(F)F)n2)c1F ZINC000256054390 190005313 /nfs/dbraw/zinc/00/53/13/190005313.db2.gz WBLYKCJSLKLPIK-UHFFFAOYSA-N 1 2 287.260 2.716 40 0 CFABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256053421 190004679 /nfs/dbraw/zinc/00/46/79/190004679.db2.gz RKQSEKZCSMUTBV-JTQLQIEISA-N 1 2 283.326 2.736 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3cccs3)C2)[nH+]1 ZINC000257206452 190011260 /nfs/dbraw/zinc/01/12/60/190011260.db2.gz BDMRUFGHSFZVIO-LBPRGKRZSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257230631 190016204 /nfs/dbraw/zinc/01/62/04/190016204.db2.gz GDEDVGWMTMNNSW-LLVKDONJSA-N 1 2 275.377 2.799 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257232413 190017038 /nfs/dbraw/zinc/01/70/38/190017038.db2.gz GKTQOKBENDZJIH-CQSZACIVSA-N 1 2 271.368 2.574 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257232413 190017039 /nfs/dbraw/zinc/01/70/39/190017039.db2.gz GKTQOKBENDZJIH-CQSZACIVSA-N 1 2 271.368 2.574 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1n[nH]cc1C ZINC000257220562 190014479 /nfs/dbraw/zinc/01/44/79/190014479.db2.gz DLFKMAZCSBXUIM-CQSZACIVSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1n[nH]cc1C ZINC000257220562 190014480 /nfs/dbraw/zinc/01/44/80/190014480.db2.gz DLFKMAZCSBXUIM-CQSZACIVSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1[nH]ncc1C ZINC000257220562 190014481 /nfs/dbraw/zinc/01/44/81/190014481.db2.gz DLFKMAZCSBXUIM-CQSZACIVSA-N 1 2 285.395 2.882 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1[nH]ncc1C ZINC000257220562 190014482 /nfs/dbraw/zinc/01/44/82/190014482.db2.gz DLFKMAZCSBXUIM-CQSZACIVSA-N 1 2 285.395 2.882 40 0 CFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(C)s2)[nH+]1 ZINC000257223639 190015017 /nfs/dbraw/zinc/01/50/17/190015017.db2.gz DYGJNHZSLRILOV-ZDUSSCGKSA-N 1 2 277.393 2.662 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccc(C)s2)[nH+]1 ZINC000257254877 190020666 /nfs/dbraw/zinc/02/06/66/190020666.db2.gz KFAZZENRCYZJDJ-ZDUSSCGKSA-N 1 2 289.404 2.994 40 0 CFABLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)no1 ZINC000257261139 190022423 /nfs/dbraw/zinc/02/24/23/190022423.db2.gz LFWWHYIQTCMDMU-HNNXBMFYSA-N 1 2 286.379 2.781 40 0 CFABLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)no1 ZINC000257261139 190022424 /nfs/dbraw/zinc/02/24/24/190022424.db2.gz LFWWHYIQTCMDMU-HNNXBMFYSA-N 1 2 286.379 2.781 40 0 CFABLO CNc1cc([C@@H]2CCCN2c2cc(C)ncn2)cc[nH+]1 ZINC000257261535 190022779 /nfs/dbraw/zinc/02/27/79/190022779.db2.gz LHTGDEGFSOABIG-ZDUSSCGKSA-N 1 2 269.352 2.563 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257288806 190027209 /nfs/dbraw/zinc/02/72/09/190027209.db2.gz PVUMXZCXHCBXJS-CQSZACIVSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257288806 190027210 /nfs/dbraw/zinc/02/72/10/190027210.db2.gz PVUMXZCXHCBXJS-CQSZACIVSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1nccc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257275939 190025072 /nfs/dbraw/zinc/02/50/72/190025072.db2.gz NRPYAVWJTZEYNS-GFCCVEGCSA-N 1 2 260.366 2.579 40 0 CFABLO Cc1nccc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257275939 190025073 /nfs/dbraw/zinc/02/50/73/190025073.db2.gz NRPYAVWJTZEYNS-GFCCVEGCSA-N 1 2 260.366 2.579 40 0 CFABLO CNc1cccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257338174 190036344 /nfs/dbraw/zinc/03/63/44/190036344.db2.gz YWHUIFYIKIGHMO-CQSZACIVSA-N 1 2 289.404 2.758 40 0 CFABLO CNc1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257338174 190036345 /nfs/dbraw/zinc/03/63/45/190036345.db2.gz YWHUIFYIKIGHMO-CQSZACIVSA-N 1 2 289.404 2.758 40 0 CFABLO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000257344239 383494674 /nfs/dbraw/zinc/49/46/74/383494674.db2.gz ZWFWEBWCQIEYPG-GFCCVEGCSA-N 1 2 274.393 2.539 40 0 CFABLO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000257344239 383494676 /nfs/dbraw/zinc/49/46/76/383494676.db2.gz ZWFWEBWCQIEYPG-GFCCVEGCSA-N 1 2 274.393 2.539 40 0 CFABLO O=CN1CCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216629 256710211 /nfs/dbraw/zinc/71/02/11/256710211.db2.gz UKOFMWBOFSDEHP-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072213631 256713028 /nfs/dbraw/zinc/71/30/28/256713028.db2.gz CJFJXNFFEIIZME-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO C[C@@H](Sc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045052481 393568535 /nfs/dbraw/zinc/56/85/35/393568535.db2.gz WONKOHPKEJAOOL-CYBMUJFWSA-N 1 2 289.404 2.570 40 0 CFABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072212890 393643561 /nfs/dbraw/zinc/64/35/61/393643561.db2.gz ZYQNVQAGYLCWSF-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072213380 393643706 /nfs/dbraw/zinc/64/37/06/393643706.db2.gz VKTMJCIVPDCJQD-FZMZJTMJSA-N 1 2 261.369 2.975 40 0 CFABLO Cc1cc([C@@H]2CCCN2C=O)c[nH+]c1N1CCCCC1 ZINC000072219147 393646554 /nfs/dbraw/zinc/64/65/54/393646554.db2.gz IRJFADSUBUCJKH-HNNXBMFYSA-N 1 2 273.380 2.674 40 0 CFABLO Nc1cc(-n2cnnc2)ccc1[NH2+]CC1CCCCC1 ZINC000216751614 393755725 /nfs/dbraw/zinc/75/57/25/393755725.db2.gz RPGQAQHNHFBMIT-UHFFFAOYSA-N 1 2 271.368 2.842 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000095534066 393813068 /nfs/dbraw/zinc/81/30/68/393813068.db2.gz NDWIXLRDUBYLKE-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO CCCC[NH+](CCCC)[C@]1(O)C(=O)Nc2ccccc21 ZINC000016638715 170706660 /nfs/dbraw/zinc/70/66/60/170706660.db2.gz WYXKEVQIGKJRGI-MRXNPFEDSA-N 1 2 276.380 2.686 40 0 CFABLO c1ccc2sc(SCC[NH+]3CCOCC3)nc2c1 ZINC000035183071 172036801 /nfs/dbraw/zinc/03/68/01/172036801.db2.gz DQRGIUNQIQJYNF-UHFFFAOYSA-N 1 2 280.418 2.721 40 0 CFABLO CCOC(=[NH2+])c1ccc(OC)c(Br)c1 ZINC000038052502 174064265 /nfs/dbraw/zinc/06/42/65/174064265.db2.gz FXKVCRDSFNPJPR-UHFFFAOYSA-N 1 2 258.115 2.820 40 0 CFABLO CC(C)(C)OC(=O)N1CC[C@@H](COc2cc[nH+]cc2)C1 ZINC000039954475 174178396 /nfs/dbraw/zinc/17/83/96/174178396.db2.gz ZTIUZKHEVUPMOR-GFCCVEGCSA-N 1 2 278.352 2.717 40 0 CFABLO OC1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000072203710 176342113 /nfs/dbraw/zinc/34/21/13/176342113.db2.gz LNDNNFRYSPVHAI-UHFFFAOYSA-N 1 2 260.164 2.950 40 0 CFABLO CCC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2CC)n1 ZINC000072355657 176374675 /nfs/dbraw/zinc/37/46/75/176374675.db2.gz XKVMYWADWZUJTB-CQSZACIVSA-N 1 2 298.390 2.903 40 0 CFABLO CCC[C@@H]1[NH+]=C(SC)N(C)C(C)=C1C(=O)OCC ZINC000408729051 260030952 /nfs/dbraw/zinc/03/09/52/260030952.db2.gz AIKJTVBNBCIHLO-JTQLQIEISA-N 1 2 270.398 2.657 40 0 CFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCC2CCCC2)[nH+]1 ZINC000257307420 301024004 /nfs/dbraw/zinc/02/40/04/301024004.db2.gz SYOOIFJDDFYVEN-AWEZNQCLSA-N 1 2 291.395 2.588 40 0 CFABLO Cc1cc(C)nc([C@]2(C)CCC[N@@H+]2Cc2ccccn2)n1 ZINC000257260475 301266572 /nfs/dbraw/zinc/26/65/72/301266572.db2.gz LCZVIFRHLSLKTF-KRWDZBQOSA-N 1 2 282.391 3.000 40 0 CFABLO Cc1cc(C)nc([C@]2(C)CCC[N@H+]2Cc2ccccn2)n1 ZINC000257260475 301266577 /nfs/dbraw/zinc/26/65/77/301266577.db2.gz LCZVIFRHLSLKTF-KRWDZBQOSA-N 1 2 282.391 3.000 40 0 CFABLO CC(C)c1cc(N2CCOCC2)[nH+]c2c(O)cccc12 ZINC000685938388 545575810 /nfs/dbraw/zinc/57/58/10/545575810.db2.gz QMVRXWWJHVFDHI-UHFFFAOYSA-N 1 2 272.348 2.900 40 0 CFABLO CC(C)[C@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[nH]1 ZINC000095534700 185005896 /nfs/dbraw/zinc/00/58/96/185005896.db2.gz ZTOYTMGWVYRMMP-LBPRGKRZSA-N 1 2 280.759 2.693 40 0 CFABLO CC(C)[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000095534718 185007319 /nfs/dbraw/zinc/00/73/19/185007319.db2.gz IPFODOVRLSRIQJ-JTQLQIEISA-N 1 2 250.733 2.781 40 0 CFABLO Cc1cc(N2CCC[C@H](Cc3ccccn3)C2)nc[nH+]1 ZINC000072385582 136481623 /nfs/dbraw/zinc/48/16/23/136481623.db2.gz HFJKYTLEQKCQBQ-CQSZACIVSA-N 1 2 268.364 2.639 40 0 CFABLO S=C(Nc1cc[nH+]cc1)Nc1ccc2nccnc2c1 ZINC000006269344 346214264 /nfs/dbraw/zinc/21/42/64/346214264.db2.gz DQDRRQAYIMTGEX-UHFFFAOYSA-N 1 2 281.344 2.834 40 0 CFABLO CCC[NH+]1C=CC(=C2N=c3cc(C)c(Cl)cc3=N2)C=C1 ZINC000409416116 283315924 /nfs/dbraw/zinc/31/59/24/283315924.db2.gz JZVIRWJIAKIHNI-UHFFFAOYSA-N 1 2 285.778 2.866 40 0 CFABLO Cc1[nH+]c2cc(NC(=O)NC(C)(C)C)ccc2n1C ZINC000000479370 371626455 /nfs/dbraw/zinc/62/64/55/371626455.db2.gz IVLCROJSRREFRN-UHFFFAOYSA-N 1 2 260.341 2.802 40 0 CFABLO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000012360616 371955578 /nfs/dbraw/zinc/95/55/78/371955578.db2.gz FJDWFIDACOSHMJ-XHSDSOJGSA-N 1 2 299.418 2.557 40 0 CFABLO CCn1cc(-c2c[nH+]cn2CCCn2nc(C)cc2C)cn1 ZINC000019719627 372180836 /nfs/dbraw/zinc/18/08/36/372180836.db2.gz PCQAUMNRFFEHMB-UHFFFAOYSA-N 1 2 298.394 2.670 40 0 CFABLO Cc1ccc2scc(CC(=O)NCc3[nH+]ccn3C)c2c1 ZINC000019220672 372150724 /nfs/dbraw/zinc/15/07/24/372150724.db2.gz CNSUTIKMCAELGD-UHFFFAOYSA-N 1 2 299.399 2.802 40 0 CFABLO C=Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c(C)n1 ZINC000019584137 372175843 /nfs/dbraw/zinc/17/58/43/372175843.db2.gz BXIGQMQGGHHZEV-WMLDXEAASA-N 1 2 295.390 2.652 40 0 CFABLO C=Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c(C)n1 ZINC000019584137 372175849 /nfs/dbraw/zinc/17/58/49/372175849.db2.gz BXIGQMQGGHHZEV-WMLDXEAASA-N 1 2 295.390 2.652 40 0 CFABLO COCc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)o1 ZINC000019576757 372175964 /nfs/dbraw/zinc/17/59/64/372175964.db2.gz VMZBRVZSSRBPIL-UHFFFAOYSA-N 1 2 285.303 2.863 40 0 CFABLO CCOC(=O)c1c[nH+]c2cc(Br)ccc2c1N ZINC000053994591 373493372 /nfs/dbraw/zinc/49/33/72/373493372.db2.gz MEZQQVMYFSITEZ-UHFFFAOYSA-N 1 2 295.136 2.756 40 0 CFABLO COc1cccc(CNC(=S)Nc2cc[nH+]cc2)c1 ZINC000066136607 373914306 /nfs/dbraw/zinc/91/43/06/373914306.db2.gz ILTLDKGEWLREHU-UHFFFAOYSA-N 1 2 273.361 2.577 40 0 CFABLO Fc1ccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)s1 ZINC000256050261 190002856 /nfs/dbraw/zinc/00/28/56/190002856.db2.gz DISIPKKYNYKNAX-UHFFFAOYSA-N 1 2 293.289 2.936 40 0 CFABLO COc1ccccc1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256055083 190005488 /nfs/dbraw/zinc/00/54/88/190005488.db2.gz ZBKZYLZCVQFVNY-UHFFFAOYSA-N 1 2 299.296 2.744 40 0 CFABLO Cc1c[nH]c([C@H]2COCCN2CCCc2ccccc2)[nH+]1 ZINC000257199608 190011010 /nfs/dbraw/zinc/01/10/10/190011010.db2.gz AACAVJMHQJYODB-MRXNPFEDSA-N 1 2 285.391 2.724 40 0 CFABLO CN(C)c1cc([C@H]2CCCN2C(=O)CC2CC2)cc[nH+]1 ZINC000257265299 190023488 /nfs/dbraw/zinc/02/34/88/190023488.db2.gz LYCHDIISAAMAFQ-CQSZACIVSA-N 1 2 273.380 2.611 40 0 CFABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2CC2CC2)c1 ZINC000257273164 190024685 /nfs/dbraw/zinc/02/46/85/190024685.db2.gz NFNFJMCFOMOEED-INIZCTEOSA-N 1 2 283.375 2.859 40 0 CFABLO COc1cccc([C@@H]2Cn3ccnc3C[N@@H+]2CC2CC2)c1 ZINC000257273164 190024686 /nfs/dbraw/zinc/02/46/86/190024686.db2.gz NFNFJMCFOMOEED-INIZCTEOSA-N 1 2 283.375 2.859 40 0 CFABLO COc1cccc([C@@H]2Cn3ccnc3C[N@H+]2CC2CC2)c1 ZINC000257273164 190024687 /nfs/dbraw/zinc/02/46/87/190024687.db2.gz NFNFJMCFOMOEED-INIZCTEOSA-N 1 2 283.375 2.859 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257314010 190031632 /nfs/dbraw/zinc/03/16/32/190031632.db2.gz UVACVZFEHYAGCN-HNNXBMFYSA-N 1 2 287.411 2.843 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257314010 190031633 /nfs/dbraw/zinc/03/16/33/190031633.db2.gz UVACVZFEHYAGCN-HNNXBMFYSA-N 1 2 287.411 2.843 40 0 CFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257292048 190027976 /nfs/dbraw/zinc/02/79/76/190027976.db2.gz QJSXXRUPNJMDDI-GFCCVEGCSA-N 1 2 274.393 2.917 40 0 CFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257292048 190027977 /nfs/dbraw/zinc/02/79/77/190027977.db2.gz QJSXXRUPNJMDDI-GFCCVEGCSA-N 1 2 274.393 2.917 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257304711 190030227 /nfs/dbraw/zinc/03/02/27/190030227.db2.gz SMUZYXZFVAVGMJ-INIZCTEOSA-N 1 2 297.402 2.975 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cnc(C)cn3)C2)s1 ZINC000257319690 190033225 /nfs/dbraw/zinc/03/32/25/190033225.db2.gz VTPRTZXEYNUWCJ-HNNXBMFYSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@H](c3cnc(C)cn3)C2)s1 ZINC000257319690 190033226 /nfs/dbraw/zinc/03/32/26/190033226.db2.gz VTPRTZXEYNUWCJ-HNNXBMFYSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1cnc(C2(C)CC[NH+](Cc3ncc[nH]3)CC2)s1 ZINC000257319923 190033565 /nfs/dbraw/zinc/03/35/65/190033565.db2.gz VUPPSWRTCKQIJH-UHFFFAOYSA-N 1 2 276.409 2.728 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)C=Cc3ccccc3)C2)[nH+]1 ZINC000257325440 190033981 /nfs/dbraw/zinc/03/39/81/190033981.db2.gz WSYOIRYIWYPHCY-KIUWMYQTSA-N 1 2 281.359 2.747 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3scnc3C)C2)[nH+]1 ZINC000257333795 190035648 /nfs/dbraw/zinc/03/56/48/190035648.db2.gz YDBRDHAIURBUIH-NSHDSACASA-N 1 2 290.392 2.503 40 0 CFABLO O=C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052396066 296323099 /nfs/dbraw/zinc/32/30/99/296323099.db2.gz WMRLJCRSLKALNT-UHFFFAOYSA-N 1 2 257.255 2.870 40 0 CFABLO Cc1cnc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)s1 ZINC000257252476 383493104 /nfs/dbraw/zinc/49/31/04/383493104.db2.gz JUYRBHWVKFBZOS-GFCCVEGCSA-N 1 2 274.393 2.934 40 0 CFABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072213382 393643628 /nfs/dbraw/zinc/64/36/28/393643628.db2.gz VKTMJCIVPDCJQD-SMDDNHRTSA-N 1 2 261.369 2.975 40 0 CFABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1NC1CC1 ZINC000072222763 393646498 /nfs/dbraw/zinc/64/64/98/393646498.db2.gz IZSSEWOTAGHMRH-UHFFFAOYSA-N 1 2 277.368 2.989 40 0 CFABLO C[C@@H](O)c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000072225765 393647192 /nfs/dbraw/zinc/64/71/92/393647192.db2.gz TWBOZFBLBCJWMC-GFCCVEGCSA-N 1 2 254.333 2.698 40 0 CFABLO O=c1[nH]c2ccccc2cc1C[NH2+]c1ccc(O)cc1O ZINC000072396094 176394589 /nfs/dbraw/zinc/39/45/89/176394589.db2.gz PRPWLBKKMZBCKJ-UHFFFAOYSA-N 1 2 282.299 2.551 40 0 CFABLO CC1(C)CC(Nc2ccccc2)=CC(N2CCOCC2)=[NH+]1 ZINC000005486401 278191029 /nfs/dbraw/zinc/19/10/29/278191029.db2.gz PMVBFKSUQXHDHL-UHFFFAOYSA-N 1 2 285.391 2.895 40 0 CFABLO Cc1cc(N2CCCC2)nc(-c2ccc(N)cc2)[nH+]1 ZINC000226103366 278708548 /nfs/dbraw/zinc/70/85/48/278708548.db2.gz RXKXWHNLVIGDOH-UHFFFAOYSA-N 1 2 254.337 2.634 40 0 CFABLO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938508 545575892 /nfs/dbraw/zinc/57/58/92/545575892.db2.gz WEWUHPLPGOUVOP-VXGBXAGGSA-N 1 2 272.348 2.862 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)c1 ZINC000095533609 185005982 /nfs/dbraw/zinc/00/59/82/185005982.db2.gz VXRZQXMIKAIOOT-CQSZACIVSA-N 1 2 280.331 2.528 40 0 CFABLO Cc1ccccc1-c1nnc([C@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533446 185006795 /nfs/dbraw/zinc/00/67/95/185006795.db2.gz HTDPYUWGNHCLIS-CQSZACIVSA-N 1 2 264.332 2.828 40 0 CFABLO Cc1ccccc1-c1n[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000095533446 185006796 /nfs/dbraw/zinc/00/67/96/185006796.db2.gz HTDPYUWGNHCLIS-CQSZACIVSA-N 1 2 264.332 2.828 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095534074 185007676 /nfs/dbraw/zinc/00/76/76/185007676.db2.gz STIDPWDKSOBSKL-INIZCTEOSA-N 1 2 294.358 2.740 40 0 CFABLO c1cc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)co1 ZINC000096060970 185083274 /nfs/dbraw/zinc/08/32/74/185083274.db2.gz RJXLWAPTMSJVQR-UHFFFAOYSA-N 1 2 283.375 2.907 40 0 CFABLO c1cc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)co1 ZINC000096060970 185083276 /nfs/dbraw/zinc/08/32/76/185083276.db2.gz RJXLWAPTMSJVQR-UHFFFAOYSA-N 1 2 283.375 2.907 40 0 CFABLO c1coc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585102822 348734131 /nfs/dbraw/zinc/73/41/31/348734131.db2.gz IRJGYSYLNBUDHU-OAHLLOKOSA-N 1 2 291.391 2.687 40 0 CFABLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111553 348734723 /nfs/dbraw/zinc/73/47/23/348734723.db2.gz VUULPUCVJAMPGJ-ZFWWWQNUSA-N 1 2 295.386 2.591 40 0 CFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1F ZINC000329030831 202160508 /nfs/dbraw/zinc/16/05/08/202160508.db2.gz QHCBMVVWMIDZHY-UHFFFAOYSA-N 1 2 298.365 2.963 40 0 CFABLO CNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329020339 202154338 /nfs/dbraw/zinc/15/43/38/202154338.db2.gz OBGOHDQXCIHDDS-UHFFFAOYSA-N 1 2 282.391 2.774 40 0 CFABLO CNc1nc(Nc2ccc(C)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329032886 202161594 /nfs/dbraw/zinc/16/15/94/202161594.db2.gz QRBPONLQFIKAQP-UHFFFAOYSA-N 1 2 288.782 2.945 40 0 CFABLO S=C(NCCCOC1CCCC1)Nc1cc[nH+]cc1 ZINC000225621035 189760011 /nfs/dbraw/zinc/76/00/11/189760011.db2.gz NPLTUHQLXQKAFG-UHFFFAOYSA-N 1 2 279.409 2.717 40 0 CFABLO C[NH+](C)[C@@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001588311 371684339 /nfs/dbraw/zinc/68/43/39/371684339.db2.gz ADPZSEBFNQFRKD-INIZCTEOSA-N 1 2 289.400 2.763 40 0 CFABLO c1ccc(C2=[NH+]CCc3cc4c(cc32)OCO4)cc1 ZINC000001647592 371691562 /nfs/dbraw/zinc/69/15/62/371691562.db2.gz MSIUONOOULABIO-UHFFFAOYSA-N 1 2 251.285 2.809 40 0 CFABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)C3CC3)C2)c2sccn12 ZINC000019240728 372151027 /nfs/dbraw/zinc/15/10/27/372151027.db2.gz QVIMGAQWOWEZSI-GFCCVEGCSA-N 1 2 289.404 2.820 40 0 CFABLO CCCn1cc(C[NH2+]Cc2ccn(C(C)C)n2)c(C)n1 ZINC000256055193 190005393 /nfs/dbraw/zinc/00/53/93/190005393.db2.gz ZQBDSBGBKVDQDS-UHFFFAOYSA-N 1 2 275.400 2.669 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN2Cc2cscn2)[nH+]1 ZINC000257259017 190021480 /nfs/dbraw/zinc/02/14/80/190021480.db2.gz KWLJMAVEHVRXJX-GFCCVEGCSA-N 1 2 262.382 2.522 40 0 CFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)cc[nH+]1 ZINC000257312032 190031788 /nfs/dbraw/zinc/03/17/88/190031788.db2.gz UMDNJTPZKMHTLP-OAHLLOKOSA-N 1 2 296.374 2.538 40 0 CFABLO c1cc2ccnc(CC3C[NH+](Cc4cscn4)C3)c2[nH]1 ZINC000257294057 190028862 /nfs/dbraw/zinc/02/88/62/190028862.db2.gz QSGIZYLXZGNJGR-UHFFFAOYSA-N 1 2 284.388 2.694 40 0 CFABLO CNc1nccc([C@@H]2CCCC[N@@H+]2Cc2ccoc2)n1 ZINC000257324991 190034007 /nfs/dbraw/zinc/03/40/07/190034007.db2.gz WRABNLPTNVCGOJ-AWEZNQCLSA-N 1 2 272.352 2.839 40 0 CFABLO CNc1nccc([C@@H]2CCCC[N@H+]2Cc2ccoc2)n1 ZINC000257324991 190034008 /nfs/dbraw/zinc/03/40/08/190034008.db2.gz WRABNLPTNVCGOJ-AWEZNQCLSA-N 1 2 272.352 2.839 40 0 CFABLO Cc1c[nH]c([C@H]2COCCN2Cc2sccc2C)[nH+]1 ZINC000257324630 190034438 /nfs/dbraw/zinc/03/44/38/190034438.db2.gz WPODODGXNYGSPA-GFCCVEGCSA-N 1 2 277.393 2.662 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc(C)n2)n1 ZINC000257332640 190035445 /nfs/dbraw/zinc/03/54/45/190035445.db2.gz XYCMZYVBVGYLKP-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc(C)n2)n1 ZINC000257332640 190035446 /nfs/dbraw/zinc/03/54/46/190035446.db2.gz XYCMZYVBVGYLKP-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO CN(C(=O)c1ccccc1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257249839 383493475 /nfs/dbraw/zinc/49/34/75/383493475.db2.gz JJZBVOMVWINAPG-INIZCTEOSA-N 1 2 295.386 2.823 40 0 CFABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072212889 393643955 /nfs/dbraw/zinc/64/39/55/393643955.db2.gz ZYQNVQAGYLCWSF-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072213561 393644889 /nfs/dbraw/zinc/64/48/89/393644889.db2.gz WXNFDOYEBQVHBN-OCCSQVGLSA-N 1 2 261.369 2.975 40 0 CFABLO Cc1cc([C@@H]2CCCCN2C=O)c[nH+]c1N1CCCC1 ZINC000072218832 393644974 /nfs/dbraw/zinc/64/49/74/393644974.db2.gz VOYPZQNYSIRYDB-HNNXBMFYSA-N 1 2 273.380 2.674 40 0 CFABLO CCN(C)c1[nH+]cc(CNC(=O)OC(C)(C)C)cc1C ZINC000072222195 393646385 /nfs/dbraw/zinc/64/63/85/393646385.db2.gz SSBFDVUYUMTDRK-UHFFFAOYSA-N 1 2 279.384 2.871 40 0 CFABLO CC(C)(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022225397 171379978 /nfs/dbraw/zinc/37/99/78/171379978.db2.gz ATEIGJWBDUZFAH-UHFFFAOYSA-N 1 2 276.380 2.503 40 0 CFABLO CC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038835711 174156926 /nfs/dbraw/zinc/15/69/26/174156926.db2.gz IGZRWNPWPCXBJR-UHFFFAOYSA-N 1 2 283.375 2.804 40 0 CFABLO CC[N@@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384595 176388797 /nfs/dbraw/zinc/38/87/97/176388797.db2.gz QFPVLRVUMDTSLV-LLVKDONJSA-N 1 2 275.381 2.834 40 0 CFABLO CC[N@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384595 176388798 /nfs/dbraw/zinc/38/87/98/176388798.db2.gz QFPVLRVUMDTSLV-LLVKDONJSA-N 1 2 275.381 2.834 40 0 CFABLO C[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000082752529 278318944 /nfs/dbraw/zinc/31/89/44/278318944.db2.gz BRMVUALUFNFWEW-ZCFIWIBFSA-N 1 2 256.231 2.510 40 0 CFABLO Cc1nc([C@H]2CCCC[N@H+]2C)cc(C(F)(F)F)n1 ZINC000072382224 293385635 /nfs/dbraw/zinc/38/56/35/293385635.db2.gz JEWXKMYJEPXNMW-SNVBAGLBSA-N 1 2 259.275 2.961 40 0 CFABLO Cc1nc([C@H]2CCCC[N@@H+]2C)cc(C(F)(F)F)n1 ZINC000072382224 293385638 /nfs/dbraw/zinc/38/56/38/293385638.db2.gz JEWXKMYJEPXNMW-SNVBAGLBSA-N 1 2 259.275 2.961 40 0 CFABLO c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329065689 570337987 /nfs/dbraw/zinc/33/79/87/570337987.db2.gz XTTUUQZFBPZSKI-UHFFFAOYSA-N 1 2 266.348 2.516 40 0 CFABLO Cc1ccccc1-c1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 ZINC000095533447 185005791 /nfs/dbraw/zinc/00/57/91/185005791.db2.gz HTDPYUWGNHCLIS-AWEZNQCLSA-N 1 2 264.332 2.828 40 0 CFABLO Cc1ccccc1-c1n[nH]c([C@@H]([NH3+])c2ccccc2)n1 ZINC000095533447 185005792 /nfs/dbraw/zinc/00/57/92/185005792.db2.gz HTDPYUWGNHCLIS-AWEZNQCLSA-N 1 2 264.332 2.828 40 0 CFABLO [NH3+][C@H](c1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533241 185006561 /nfs/dbraw/zinc/00/65/61/185006561.db2.gz BQPHKLBDZHDQLS-HNNXBMFYSA-N 1 2 298.321 2.571 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060370 185080215 /nfs/dbraw/zinc/08/02/15/185080215.db2.gz PAJDUFAVSMVEBV-LBPRGKRZSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060370 185080216 /nfs/dbraw/zinc/08/02/16/185080216.db2.gz PAJDUFAVSMVEBV-LBPRGKRZSA-N 1 2 291.420 2.618 40 0 CFABLO COc1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]cn1)C2 ZINC000329012088 136377395 /nfs/dbraw/zinc/37/73/95/136377395.db2.gz MIXCZOHNTPRTPY-UHFFFAOYSA-N 1 2 298.390 2.868 40 0 CFABLO COc1ccc2c(c1)CCN(c1cc(NC(C)C)nc[nH+]1)C2 ZINC000329012088 136377396 /nfs/dbraw/zinc/37/73/96/136377396.db2.gz MIXCZOHNTPRTPY-UHFFFAOYSA-N 1 2 298.390 2.868 40 0 CFABLO CNc1cc(N2CCc3cc(Cl)ccc3C2)nc[nH+]1 ZINC000329024889 136377874 /nfs/dbraw/zinc/37/78/74/136377874.db2.gz PCYSPCPZXNGAMP-UHFFFAOYSA-N 1 2 274.755 2.734 40 0 CFABLO CNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]cn1 ZINC000329024889 136377875 /nfs/dbraw/zinc/37/78/75/136377875.db2.gz PCYSPCPZXNGAMP-UHFFFAOYSA-N 1 2 274.755 2.734 40 0 CFABLO COc1cc(Br)c(-c2[nH]cc[nH+]2)cc1OC ZINC000309168987 348406159 /nfs/dbraw/zinc/40/61/59/348406159.db2.gz KIRHXRWHZBRQFB-UHFFFAOYSA-N 1 2 283.125 2.856 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH+]1 ZINC000585181435 348738115 /nfs/dbraw/zinc/73/81/15/348738115.db2.gz NCUSUIMPZMVHPV-ZDUSSCGKSA-N 1 2 294.358 2.829 40 0 CFABLO CCNc1nc(Nc2c(F)cccc2F)cc(C2CC2)[nH+]1 ZINC000329009684 202148555 /nfs/dbraw/zinc/14/85/55/202148555.db2.gz LWXRTQUFIGDCSQ-UHFFFAOYSA-N 1 2 290.317 2.651 40 0 CFABLO COc1ccc2oc(C)c(C(=O)Cn3cc[nH+]c3)c2c1 ZINC000002489111 371727913 /nfs/dbraw/zinc/72/79/13/371727913.db2.gz ORXWSLDGQVRACV-UHFFFAOYSA-N 1 2 270.288 2.829 40 0 CFABLO C=Cn1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000019554317 372173609 /nfs/dbraw/zinc/17/36/09/372173609.db2.gz XSLSAJCHAMFBIR-WMLDXEAASA-N 1 2 295.390 2.652 40 0 CFABLO C=Cn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000019554317 372173616 /nfs/dbraw/zinc/17/36/16/372173616.db2.gz XSLSAJCHAMFBIR-WMLDXEAASA-N 1 2 295.390 2.652 40 0 CFABLO Cc1ccc(C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000034058388 372504659 /nfs/dbraw/zinc/50/46/59/372504659.db2.gz QRXYQEFDPBQJIQ-UHFFFAOYSA-N 1 2 294.398 3.000 40 0 CFABLO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccccc2)n[nH]1 ZINC000042013481 372869615 /nfs/dbraw/zinc/86/96/15/372869615.db2.gz XRHLBWHTBQIMOC-CQSZACIVSA-N 1 2 264.332 2.714 40 0 CFABLO C[C@@H]1CN(c2ccc3cccc(O)c3[nH+]2)C[C@@H](C)O1 ZINC000041669563 372857528 /nfs/dbraw/zinc/85/75/28/372857528.db2.gz MANYOXWVVOSUSO-GHMZBOCLSA-N 1 2 258.321 2.554 40 0 CFABLO Cc1cc(N2CCC[C@@H](Cc3ccccn3)C2)nc[nH+]1 ZINC000072385583 374248807 /nfs/dbraw/zinc/24/88/07/374248807.db2.gz HFJKYTLEQKCQBQ-AWEZNQCLSA-N 1 2 268.364 2.639 40 0 CFABLO CC(C)Cn1ccc(C[NH2+]Cc2ccnn2C(C)C)n1 ZINC000256053402 190004931 /nfs/dbraw/zinc/00/49/31/190004931.db2.gz RHSABXNQXPDULB-UHFFFAOYSA-N 1 2 275.400 2.606 40 0 CFABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256054529 190005442 /nfs/dbraw/zinc/00/54/42/190005442.db2.gz WSBOMJKVHITSDV-UHFFFAOYSA-N 1 2 275.400 2.840 40 0 CFABLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1ccncn1 ZINC000257223403 190014897 /nfs/dbraw/zinc/01/48/97/190014897.db2.gz DXEIHVPIRCVCOK-MRXNPFEDSA-N 1 2 293.374 2.700 40 0 CFABLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1ccncn1 ZINC000257223403 190014898 /nfs/dbraw/zinc/01/48/98/190014898.db2.gz DXEIHVPIRCVCOK-MRXNPFEDSA-N 1 2 293.374 2.700 40 0 CFABLO CCn1nc(C)c(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1C ZINC000257263609 190022579 /nfs/dbraw/zinc/02/25/79/190022579.db2.gz LQSMFADRFXCTDL-MRXNPFEDSA-N 1 2 287.411 2.970 40 0 CFABLO CCn1nc(C)c(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1C ZINC000257263609 190022580 /nfs/dbraw/zinc/02/25/80/190022580.db2.gz LQSMFADRFXCTDL-MRXNPFEDSA-N 1 2 287.411 2.970 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000257295094 190028744 /nfs/dbraw/zinc/02/87/44/190028744.db2.gz QWYUPHABZOKZFR-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000257295094 190028745 /nfs/dbraw/zinc/02/87/45/190028745.db2.gz QWYUPHABZOKZFR-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000257295094 190028746 /nfs/dbraw/zinc/02/87/46/190028746.db2.gz QWYUPHABZOKZFR-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000257295094 190028747 /nfs/dbraw/zinc/02/87/47/190028747.db2.gz QWYUPHABZOKZFR-AWEZNQCLSA-N 1 2 256.353 2.840 40 0 CFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)on2)ccn1 ZINC000257303892 190030318 /nfs/dbraw/zinc/03/03/18/190030318.db2.gz SJEATQFCCHQSLY-CQSZACIVSA-N 1 2 272.352 2.757 40 0 CFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2cc(C)on2)ccn1 ZINC000257303892 190030319 /nfs/dbraw/zinc/03/03/19/190030319.db2.gz SJEATQFCCHQSLY-CQSZACIVSA-N 1 2 272.352 2.757 40 0 CFABLO c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c1 ZINC000257316439 190032672 /nfs/dbraw/zinc/03/26/72/190032672.db2.gz VFOVFKXSQXGEBS-LLVKDONJSA-N 1 2 299.403 2.851 40 0 CFABLO c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c1 ZINC000257316439 190032673 /nfs/dbraw/zinc/03/26/73/190032673.db2.gz VFOVFKXSQXGEBS-LLVKDONJSA-N 1 2 299.403 2.851 40 0 CFABLO CC(C)n1nccc1C[NH+]1CCC(C)(c2cc[nH]n2)CC1 ZINC000257326006 190034006 /nfs/dbraw/zinc/03/40/06/190034006.db2.gz WVJIPNVJELZULP-UHFFFAOYSA-N 1 2 287.411 2.741 40 0 CFABLO Cc1cncc(C2CC[NH+](Cc3nccs3)CC2)n1 ZINC000257325318 190034403 /nfs/dbraw/zinc/03/44/03/190034403.db2.gz WSLLGFXADPNPPJ-UHFFFAOYSA-N 1 2 274.393 2.621 40 0 CFABLO COc1cc[nH+]cc1NC(=O)c1cnn(C(C)(C)C)c1C ZINC000194739880 382753644 /nfs/dbraw/zinc/75/36/44/382753644.db2.gz SHQZSQQXCVZFCA-UHFFFAOYSA-N 1 2 288.351 2.602 40 0 CFABLO O=C([O-])c1ccc2[nH]c(CCC[NH+]3CCCCC3)[nH+]c2c1 ZINC000225295630 382814391 /nfs/dbraw/zinc/81/43/91/382814391.db2.gz KZELPRMCMNMKDE-UHFFFAOYSA-N 1 2 287.363 2.680 40 0 CFABLO Cc1nccc(N2CCC(c3cccc4[nH+]ccn43)CC2)n1 ZINC000257262616 383495519 /nfs/dbraw/zinc/49/55/19/383495519.db2.gz LMCLBXDFFHYPFP-UHFFFAOYSA-N 1 2 293.374 2.817 40 0 CFABLO CCOC(=O)c1cc(N)ccc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000041081927 393544449 /nfs/dbraw/zinc/54/44/49/393544449.db2.gz SJHJSROUANFNSS-VXGBXAGGSA-N 1 2 276.380 2.928 40 0 CFABLO Cc1cc(C)[nH+]c(CCNC(=O)OC(C)(C)C)c1 ZINC000072206900 393642220 /nfs/dbraw/zinc/64/22/20/393642220.db2.gz REFYDYRSLSWAFR-UHFFFAOYSA-N 1 2 250.342 2.766 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N)[nH+]c1 ZINC000072212360 393643594 /nfs/dbraw/zinc/64/35/94/393643594.db2.gz UNLOUYICYDDIRI-NSHDSACASA-N 1 2 263.341 2.736 40 0 CFABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072213450 393644208 /nfs/dbraw/zinc/64/42/08/393644208.db2.gz QYYPCQYRCBISAK-JSGCOSHPSA-N 1 2 261.369 2.975 40 0 CFABLO O=CN1CCCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213870 393644872 /nfs/dbraw/zinc/64/48/72/393644872.db2.gz QKINPUHQQQSHSJ-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO CC(=O)N1CCCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213813 393645193 /nfs/dbraw/zinc/64/51/93/393645193.db2.gz NUHDCNROBALVSL-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1SC(C)(C)C ZINC000072223693 393646578 /nfs/dbraw/zinc/64/65/78/393646578.db2.gz FXCGSIJVSLWNAN-UHFFFAOYSA-N 1 2 293.436 2.559 40 0 CFABLO CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1nccs1)CCO2 ZINC000096051870 286151412 /nfs/dbraw/zinc/15/14/12/286151412.db2.gz LBYZMUGFLKDCEX-DZGCQCFKSA-N 1 2 296.436 2.551 40 0 CFABLO CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1nccs1)CCO2 ZINC000096051870 286151414 /nfs/dbraw/zinc/15/14/14/286151414.db2.gz LBYZMUGFLKDCEX-DZGCQCFKSA-N 1 2 296.436 2.551 40 0 CFABLO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203923 176341963 /nfs/dbraw/zinc/34/19/63/176341963.db2.gz KZYNOKVNUXFIRW-CYBMUJFWSA-N 1 2 291.395 2.695 40 0 CFABLO CC(C)(C)OC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000072225425 176343136 /nfs/dbraw/zinc/34/31/36/176343136.db2.gz DXQICIZBUSKLCI-UHFFFAOYSA-N 1 2 277.368 2.707 40 0 CFABLO Cn1ccnc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000072345704 176373022 /nfs/dbraw/zinc/37/30/22/176373022.db2.gz YIBWFFIIFOAYKS-UHFFFAOYSA-N 1 2 289.354 2.603 40 0 CFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(C)=O)n1 ZINC000072355659 176375057 /nfs/dbraw/zinc/37/50/57/176375057.db2.gz YRQZQUGAVZVIJM-CQSZACIVSA-N 1 2 284.363 2.513 40 0 CFABLO Cc1cccc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385510 176389774 /nfs/dbraw/zinc/38/97/74/176389774.db2.gz LJHTZARNYUHFPI-AWEZNQCLSA-N 1 2 254.337 2.830 40 0 CFABLO CSc1ncc(C[N@H+](C)[C@H](C)c2ccco2)cn1 ZINC000072397964 176395475 /nfs/dbraw/zinc/39/54/75/176395475.db2.gz DWGFGJONAJIFIT-SNVBAGLBSA-N 1 2 263.366 2.985 40 0 CFABLO CSc1ncc(C[N@@H+](C)[C@H](C)c2ccco2)cn1 ZINC000072397964 176395476 /nfs/dbraw/zinc/39/54/76/176395476.db2.gz DWGFGJONAJIFIT-SNVBAGLBSA-N 1 2 263.366 2.985 40 0 CFABLO c1[nH]c2ccccc2c1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000072397777 176395774 /nfs/dbraw/zinc/39/57/74/176395774.db2.gz WHTMIOBOQPQTET-UHFFFAOYSA-N 1 2 293.374 2.653 40 0 CFABLO c1[nH]c2ccccc2c1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000072397777 176395776 /nfs/dbraw/zinc/39/57/76/176395776.db2.gz WHTMIOBOQPQTET-UHFFFAOYSA-N 1 2 293.374 2.653 40 0 CFABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000247920741 277342835 /nfs/dbraw/zinc/34/28/35/277342835.db2.gz CEWSPJVTCWOUSN-INIZCTEOSA-N 1 2 298.386 2.615 40 0 CFABLO COC(=O)c1cc(-n2c[nH+]c(C)c2)cc(C(F)(F)F)c1 ZINC000199821376 277418551 /nfs/dbraw/zinc/41/85/51/277418551.db2.gz YDTVNGVSMABJJY-UHFFFAOYSA-N 1 2 284.237 2.986 40 0 CFABLO CNc1nc(Nc2cc(Cl)ccc2C)cc(C2CC2)[nH+]1 ZINC000328963413 524037221 /nfs/dbraw/zinc/03/72/21/524037221.db2.gz BMWCFHWQELFTOR-UHFFFAOYSA-N 1 2 288.782 2.945 40 0 CFABLO CCNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc[nH+]1 ZINC000329013103 535523192 /nfs/dbraw/zinc/52/31/92/535523192.db2.gz MOSWOQRLULTQQC-GFCCVEGCSA-N 1 2 298.390 2.524 40 0 CFABLO CCNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]cn1 ZINC000329013103 535523196 /nfs/dbraw/zinc/52/31/96/535523196.db2.gz MOSWOQRLULTQQC-GFCCVEGCSA-N 1 2 298.390 2.524 40 0 CFABLO c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000242415239 136386055 /nfs/dbraw/zinc/38/60/55/136386055.db2.gz BHCDCZYJAYWCEX-UHFFFAOYSA-N 1 2 266.348 2.614 40 0 CFABLO c1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000242415239 136386056 /nfs/dbraw/zinc/38/60/56/136386056.db2.gz BHCDCZYJAYWCEX-UHFFFAOYSA-N 1 2 266.348 2.614 40 0 CFABLO c1coc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585102821 348734566 /nfs/dbraw/zinc/73/45/66/348734566.db2.gz IRJGYSYLNBUDHU-HNNXBMFYSA-N 1 2 291.391 2.687 40 0 CFABLO CCC(=O)N1CCCC[C@H]1CCc1cccc(N(C)C)[nH+]1 ZINC000585178920 348738198 /nfs/dbraw/zinc/73/81/98/348738198.db2.gz OYKPAWCFUPQRPR-HNNXBMFYSA-N 1 2 289.423 2.871 40 0 CFABLO Cc1cccc(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000106303769 186106749 /nfs/dbraw/zinc/10/67/49/186106749.db2.gz VQYWGXSOQQDBEW-UHFFFAOYSA-N 1 2 266.344 2.949 40 0 CFABLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000109827880 186275304 /nfs/dbraw/zinc/27/53/04/186275304.db2.gz YNZPCHRZVNOUOB-AWEZNQCLSA-N 1 2 257.337 2.755 40 0 CFABLO COc1cccc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)c1 ZINC000109827880 186275305 /nfs/dbraw/zinc/27/53/05/186275305.db2.gz YNZPCHRZVNOUOB-AWEZNQCLSA-N 1 2 257.337 2.755 40 0 CFABLO CCNc1nc(Nc2cccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000328959467 202129939 /nfs/dbraw/zinc/12/99/39/202129939.db2.gz AUGTWEGHBYAYPR-UHFFFAOYSA-N 1 2 290.317 2.651 40 0 CFABLO Cc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328988252 202142414 /nfs/dbraw/zinc/14/24/14/202142414.db2.gz IFJXIXSFPUIABP-UHFFFAOYSA-N 1 2 280.375 2.824 40 0 CFABLO Cc1cc(C)c(C2=CC(C(F)(F)F)=[NH+]CCN2)c(O)c1 ZINC000021523171 372241596 /nfs/dbraw/zinc/24/15/96/372241596.db2.gz GMHMCXLFFVSZDD-UHFFFAOYSA-N 1 2 284.281 2.848 40 0 CFABLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000034517385 372510213 /nfs/dbraw/zinc/51/02/13/372510213.db2.gz ISKGEBPNAREAKZ-UHFFFAOYSA-N 1 2 282.409 2.801 40 0 CFABLO OCCNc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000036533621 372580914 /nfs/dbraw/zinc/58/09/14/372580914.db2.gz AVVAVXYMUAYPHL-UHFFFAOYSA-N 1 2 256.227 2.658 40 0 CFABLO Cc1nc(N2CCC[C@@H](Cc3cccnc3)C2)cc[nH+]1 ZINC000072385853 374249400 /nfs/dbraw/zinc/24/94/00/374249400.db2.gz MJSUDVGHZMGHLU-HNNXBMFYSA-N 1 2 268.364 2.639 40 0 CFABLO c1ccn(Cc2noc3c2C[N@H+](Cc2ccco2)CC3)c1 ZINC000096259758 375481678 /nfs/dbraw/zinc/48/16/78/375481678.db2.gz IDCKCDKRPUWYJC-UHFFFAOYSA-N 1 2 283.331 2.676 40 0 CFABLO c1ccn(Cc2noc3c2C[N@@H+](Cc2ccco2)CC3)c1 ZINC000096259758 375481688 /nfs/dbraw/zinc/48/16/88/375481688.db2.gz IDCKCDKRPUWYJC-UHFFFAOYSA-N 1 2 283.331 2.676 40 0 CFABLO Cc1c(C[NH2+]Cc2ccn(CC(F)F)n2)cnn1C(C)C ZINC000256053228 190004608 /nfs/dbraw/zinc/00/46/08/190004608.db2.gz QOPWHTFYEBHZCZ-UHFFFAOYSA-N 1 2 297.353 2.524 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2ccnn2[C@@H](C)CC)n1 ZINC000256054433 190005522 /nfs/dbraw/zinc/00/55/22/190005522.db2.gz WFZXPJAPNYNXEA-ZDUSSCGKSA-N 1 2 275.400 2.750 40 0 CFABLO CNc1cc([C@H]2CCCN2c2ccnc(C)n2)cc[nH+]1 ZINC000257226700 190015734 /nfs/dbraw/zinc/01/57/34/190015734.db2.gz FLTLVNDNSVUVPB-CYBMUJFWSA-N 1 2 269.352 2.563 40 0 CFABLO O=C(c1cccnc1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257240672 190018931 /nfs/dbraw/zinc/01/89/31/190018931.db2.gz HUPUOBRKMJRALH-OAHLLOKOSA-N 1 2 292.342 2.707 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257246639 190019488 /nfs/dbraw/zinc/01/94/88/190019488.db2.gz IVBDEQCGDQUNST-LBPRGKRZSA-N 1 2 275.377 2.686 40 0 CFABLO Cc1nc(C[NH+]2CC3(C2)CO[C@@H](Cc2ccccc2)C3)co1 ZINC000257270799 190023810 /nfs/dbraw/zinc/02/38/10/190023810.db2.gz MVSIAIUUSLJALY-KRWDZBQOSA-N 1 2 298.386 2.817 40 0 CFABLO CCC(=O)N1CCC[C@@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257288040 190026659 /nfs/dbraw/zinc/02/66/59/190026659.db2.gz PSOIQTMGLHGWNF-OAHLLOKOSA-N 1 2 298.390 2.864 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257303268 190030661 /nfs/dbraw/zinc/03/06/61/190030661.db2.gz SGLJZTRGIVDMIQ-LLVKDONJSA-N 1 2 290.392 2.769 40 0 CFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)on2)ccn1 ZINC000257303891 190030756 /nfs/dbraw/zinc/03/07/56/190030756.db2.gz SJEATQFCCHQSLY-AWEZNQCLSA-N 1 2 272.352 2.757 40 0 CFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)on2)ccn1 ZINC000257303891 190030757 /nfs/dbraw/zinc/03/07/57/190030757.db2.gz SJEATQFCCHQSLY-AWEZNQCLSA-N 1 2 272.352 2.757 40 0 CFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CC3CC3)C2)cc[nH+]1 ZINC000257309151 190031086 /nfs/dbraw/zinc/03/10/86/190031086.db2.gz TZTXJPJLUBUTKZ-OAHLLOKOSA-N 1 2 287.407 2.654 40 0 CFABLO c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c1 ZINC000257316440 190033069 /nfs/dbraw/zinc/03/30/69/190033069.db2.gz VFOVFKXSQXGEBS-NSHDSACASA-N 1 2 299.403 2.851 40 0 CFABLO c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c1 ZINC000257316440 190033070 /nfs/dbraw/zinc/03/30/70/190033070.db2.gz VFOVFKXSQXGEBS-NSHDSACASA-N 1 2 299.403 2.851 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257327911 190034534 /nfs/dbraw/zinc/03/45/34/190034534.db2.gz XDHYDCCBQUTWOM-OAHLLOKOSA-N 1 2 283.375 2.585 40 0 CFABLO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1F ZINC000257327881 190034544 /nfs/dbraw/zinc/03/45/44/190034544.db2.gz XDDBERPXRDVVKF-CYBMUJFWSA-N 1 2 289.354 2.937 40 0 CFABLO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1F ZINC000257327881 190034545 /nfs/dbraw/zinc/03/45/45/190034545.db2.gz XDDBERPXRDVVKF-CYBMUJFWSA-N 1 2 289.354 2.937 40 0 CFABLO Cc1cc(C)nc(N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257326743 190035092 /nfs/dbraw/zinc/03/50/92/190035092.db2.gz WYLGWLUWNIBDBL-HNNXBMFYSA-N 1 2 297.406 2.896 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257331547 190035434 /nfs/dbraw/zinc/03/54/34/190035434.db2.gz XTILXSJSUBWJDH-CYBMUJFWSA-N 1 2 295.346 2.572 40 0 CFABLO COc1ccc([C@@H]2CN(Cc3ccncc3)CC[N@@H+]2C)cc1 ZINC000257333894 190035459 /nfs/dbraw/zinc/03/54/59/190035459.db2.gz YDOAVRIBFYPIAY-SFHVURJKSA-N 1 2 297.402 2.579 40 0 CFABLO COc1ccc([C@@H]2CN(Cc3ccncc3)CC[N@H+]2C)cc1 ZINC000257333894 190035460 /nfs/dbraw/zinc/03/54/60/190035460.db2.gz YDOAVRIBFYPIAY-SFHVURJKSA-N 1 2 297.402 2.579 40 0 CFABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccc(F)cc1 ZINC000155468200 378628264 /nfs/dbraw/zinc/62/82/64/378628264.db2.gz YILHWGNCQSWUCH-UHFFFAOYSA-N 1 2 270.307 2.780 40 0 CFABLO CCN(CC)c1cc(C)[nH+]c(-c2cccc(N)c2)n1 ZINC000226103171 382824732 /nfs/dbraw/zinc/82/47/32/382824732.db2.gz RRVUDLYULNKGSA-UHFFFAOYSA-N 1 2 256.353 2.880 40 0 CFABLO CC(=O)N1CCCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213812 256712946 /nfs/dbraw/zinc/71/29/46/256712946.db2.gz NUHDCNROBALVSL-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072212810 256714355 /nfs/dbraw/zinc/71/43/55/256714355.db2.gz CKUHNERMQRFHSH-AWEZNQCLSA-N 1 2 261.369 2.611 40 0 CFABLO Cc1cc(NN)c2cc(Br)cc(C)c2[nH+]1 ZINC000036075635 393522797 /nfs/dbraw/zinc/52/27/97/393522797.db2.gz TXGWDKZIRFOUOX-UHFFFAOYSA-N 1 2 266.142 2.900 40 0 CFABLO CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1N ZINC000064874597 393629942 /nfs/dbraw/zinc/62/99/42/393629942.db2.gz VKAFXCCIBMRZOE-UHFFFAOYSA-N 1 2 280.711 2.656 40 0 CFABLO CCN(CC)c1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072212830 393643717 /nfs/dbraw/zinc/64/37/17/393643717.db2.gz NBYDBWQXKWEWCR-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213892 393644880 /nfs/dbraw/zinc/64/48/80/393644880.db2.gz BERFQAXOPHMVLH-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213752 393644909 /nfs/dbraw/zinc/64/49/09/393644909.db2.gz CZSFVODVERNGRZ-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216017 393645396 /nfs/dbraw/zinc/64/53/96/393645396.db2.gz PWYNZSSTMHAENK-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO Cc1nn(C)cc1C[NH2+]Cc1csc(C2CCC2)n1 ZINC000095093910 393811868 /nfs/dbraw/zinc/81/18/68/393811868.db2.gz JDHOEPIGFJMUJR-UHFFFAOYSA-N 1 2 276.409 2.742 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000095534067 393812852 /nfs/dbraw/zinc/81/28/52/393812852.db2.gz NDWIXLRDUBYLKE-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO CCn1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(C)n1 ZINC000072379974 176387043 /nfs/dbraw/zinc/38/70/43/176387043.db2.gz GGCSQDMLDIXUNL-OAHLLOKOSA-N 1 2 285.395 2.729 40 0 CFABLO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1ccnc(C)n1 ZINC000072379974 176387044 /nfs/dbraw/zinc/38/70/44/176387044.db2.gz GGCSQDMLDIXUNL-OAHLLOKOSA-N 1 2 285.395 2.729 40 0 CFABLO CCn1ccnc1C[N@H+]1CCCC[C@@H]1c1ccnc(C)n1 ZINC000072379974 176387045 /nfs/dbraw/zinc/38/70/45/176387045.db2.gz GGCSQDMLDIXUNL-OAHLLOKOSA-N 1 2 285.395 2.729 40 0 CFABLO Cc1cc(C)nc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385586 176390696 /nfs/dbraw/zinc/39/06/96/176390696.db2.gz XMSFKFUTQOHDNC-CYBMUJFWSA-N 1 2 269.352 2.533 40 0 CFABLO CNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001672929 277046890 /nfs/dbraw/zinc/04/68/90/277046890.db2.gz DJLQQWBGTIPAGA-UHFFFAOYSA-N 1 2 259.700 2.511 40 0 CFABLO Cc1cn2c(cccc2[C@@H]2CCCN2c2ncccn2)[nH+]1 ZINC000257234222 292845066 /nfs/dbraw/zinc/84/50/66/292845066.db2.gz GSQVEIGTAAHLFP-ZDUSSCGKSA-N 1 2 279.347 2.774 40 0 CFABLO CCNc1nc(Nc2ccc(F)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329053892 521731565 /nfs/dbraw/zinc/73/15/65/521731565.db2.gz VHMQXGLYIQZZJN-UHFFFAOYSA-N 1 2 290.317 2.651 40 0 CFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1 ZINC000095534082 185005786 /nfs/dbraw/zinc/00/57/86/185005786.db2.gz LWHJIBCYNVVUGZ-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534082 185005787 /nfs/dbraw/zinc/00/57/87/185005787.db2.gz LWHJIBCYNVVUGZ-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO Cc1cccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533337 185006481 /nfs/dbraw/zinc/00/64/81/185006481.db2.gz QSNVJUDSMYRSHF-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000095533743 185006745 /nfs/dbraw/zinc/00/67/45/185006745.db2.gz MHMSNTDCNICZSI-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO CC(C)OCc1ncn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096059043 185079365 /nfs/dbraw/zinc/07/93/65/185079365.db2.gz MWXUWRZSDRSCAN-UHFFFAOYSA-N 1 2 289.379 2.807 40 0 CFABLO CC(C)OCc1ncn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096059043 185079366 /nfs/dbraw/zinc/07/93/66/185079366.db2.gz MWXUWRZSDRSCAN-UHFFFAOYSA-N 1 2 289.379 2.807 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(CC)nc21 ZINC000096059899 185081957 /nfs/dbraw/zinc/08/19/57/185081957.db2.gz RPDOSMPHINPANM-CQSZACIVSA-N 1 2 289.379 2.632 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC)nc21 ZINC000096059899 185081960 /nfs/dbraw/zinc/08/19/60/185081960.db2.gz RPDOSMPHINPANM-CQSZACIVSA-N 1 2 289.379 2.632 40 0 CFABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccs1 ZINC000131114781 136389039 /nfs/dbraw/zinc/38/90/39/136389039.db2.gz AKLKPARKVJGAIT-GFCCVEGCSA-N 1 2 287.388 2.542 40 0 CFABLO C[N@@H+]1CCN(C(=O)c2ccsc2)C[C@H]1c1ccccc1 ZINC000039200524 346341225 /nfs/dbraw/zinc/34/12/25/346341225.db2.gz FXBZTBBRJZNNQS-HNNXBMFYSA-N 1 2 286.400 2.877 40 0 CFABLO C[N@H+]1CCN(C(=O)c2ccsc2)C[C@H]1c1ccccc1 ZINC000039200524 346341228 /nfs/dbraw/zinc/34/12/28/346341228.db2.gz FXBZTBBRJZNNQS-HNNXBMFYSA-N 1 2 286.400 2.877 40 0 CFABLO CCOC(=O)Cc1cn2ccc3ccccc3c2[nH+]1 ZINC000000196147 371556248 /nfs/dbraw/zinc/55/62/48/371556248.db2.gz RDZRUZNRXNKROW-UHFFFAOYSA-N 1 2 254.289 2.593 40 0 CFABLO CCc1ccc(C[C@H]2c3ccccc3C[C@H]2O)[nH+]c1 ZINC000001675103 371697179 /nfs/dbraw/zinc/69/71/79/371697179.db2.gz CGHPRNYVECJBLT-DLBZAZTESA-N 1 2 253.345 2.887 40 0 CFABLO FC(F)[C@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013686862 372041883 /nfs/dbraw/zinc/04/18/83/372041883.db2.gz ARNKQLYWYANBBE-SECBINFHSA-N 1 2 262.097 2.729 40 0 CFABLO O=C(NC1CC1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019399738 372160211 /nfs/dbraw/zinc/16/02/11/372160211.db2.gz CSWXWDUOFQMHHA-UHFFFAOYSA-N 1 2 292.342 2.555 40 0 CFABLO CCOC(=O)c1cc(N)ccc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000041081926 372812337 /nfs/dbraw/zinc/81/23/37/372812337.db2.gz SJHJSROUANFNSS-RYUDHWBXSA-N 1 2 276.380 2.928 40 0 CFABLO Cc1ccc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)nc1 ZINC000072385499 374249804 /nfs/dbraw/zinc/24/98/04/374249804.db2.gz KSOLTOZPNWNNHV-AWEZNQCLSA-N 1 2 268.364 2.872 40 0 CFABLO CCOC(=O)c1cnc2c(c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000095097384 375416345 /nfs/dbraw/zinc/41/63/45/375416345.db2.gz PWLJODGVDLKNSS-UHFFFAOYSA-N 1 2 296.370 2.817 40 0 CFABLO CCOC(=O)c1cnc2c(c1)C[N@H+](Cc1ccccc1)CC2 ZINC000095097384 375416349 /nfs/dbraw/zinc/41/63/49/375416349.db2.gz PWLJODGVDLKNSS-UHFFFAOYSA-N 1 2 296.370 2.817 40 0 CFABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096187790 375475229 /nfs/dbraw/zinc/47/52/29/375475229.db2.gz VUUBBNQXZTVGRB-AWEZNQCLSA-N 1 2 291.420 2.613 40 0 CFABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096187790 375475232 /nfs/dbraw/zinc/47/52/32/375475232.db2.gz VUUBBNQXZTVGRB-AWEZNQCLSA-N 1 2 291.420 2.613 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)[nH+]1 ZINC000257303269 190030475 /nfs/dbraw/zinc/03/04/75/190030475.db2.gz SGLJZTRGIVDMIQ-NSHDSACASA-N 1 2 290.392 2.769 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257314011 190032209 /nfs/dbraw/zinc/03/22/09/190032209.db2.gz UVACVZFEHYAGCN-OAHLLOKOSA-N 1 2 287.411 2.843 40 0 CFABLO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257314011 190032210 /nfs/dbraw/zinc/03/22/10/190032210.db2.gz UVACVZFEHYAGCN-OAHLLOKOSA-N 1 2 287.411 2.843 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+]2Cc2ncccc2C)n1 ZINC000257316276 190032931 /nfs/dbraw/zinc/03/29/31/190032931.db2.gz VEXKMCJPSMDWOP-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+]2Cc2ncccc2C)n1 ZINC000257316276 190032932 /nfs/dbraw/zinc/03/29/32/190032932.db2.gz VEXKMCJPSMDWOP-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2C)cn1 ZINC000257325741 190034034 /nfs/dbraw/zinc/03/40/34/190034034.db2.gz WUFMWWIJPMHMQZ-CQSZACIVSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2n[nH]cc2C)cn1 ZINC000257325741 190034035 /nfs/dbraw/zinc/03/40/35/190034035.db2.gz WUFMWWIJPMHMQZ-CQSZACIVSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2C)cn1 ZINC000257325741 190034036 /nfs/dbraw/zinc/03/40/36/190034036.db2.gz WUFMWWIJPMHMQZ-CQSZACIVSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2C)cn1 ZINC000257325741 190034037 /nfs/dbraw/zinc/03/40/37/190034037.db2.gz WUFMWWIJPMHMQZ-CQSZACIVSA-N 1 2 273.384 2.662 40 0 CFABLO c1nc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257323883 190034399 /nfs/dbraw/zinc/03/43/99/190034399.db2.gz WMGCBUKJNBPYCJ-GFCCVEGCSA-N 1 2 299.403 2.794 40 0 CFABLO c1nc(C[N@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257323883 190034400 /nfs/dbraw/zinc/03/44/00/190034400.db2.gz WMGCBUKJNBPYCJ-GFCCVEGCSA-N 1 2 299.403 2.794 40 0 CFABLO CCOC(=O)[C@@H]1C=C(F)C[N@@H+](Cc2ccccc2)C1 ZINC000169805795 379111288 /nfs/dbraw/zinc/11/12/88/379111288.db2.gz OSXMBAILJGXLEW-CYBMUJFWSA-N 1 2 263.312 2.535 40 0 CFABLO CCOC(=O)[C@@H]1C=C(F)C[N@H+](Cc2ccccc2)C1 ZINC000169805795 379111295 /nfs/dbraw/zinc/11/12/95/379111295.db2.gz OSXMBAILJGXLEW-CYBMUJFWSA-N 1 2 263.312 2.535 40 0 CFABLO Cc1ccc(OCCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225563707 382818586 /nfs/dbraw/zinc/81/85/86/382818586.db2.gz BNELXSFUELLQLM-UHFFFAOYSA-N 1 2 287.388 2.755 40 0 CFABLO Cc1cc(CC2CCN(c3cnccn3)CC2)cc[nH+]1 ZINC000257292920 383495564 /nfs/dbraw/zinc/49/55/64/383495564.db2.gz QNLVZSDFHPKBHW-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO O=CN1CCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216630 393644829 /nfs/dbraw/zinc/64/48/29/393644829.db2.gz UKOFMWBOFSDEHP-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213831 393645079 /nfs/dbraw/zinc/64/50/79/393645079.db2.gz JMONMVCKQADWQA-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072213564 393645131 /nfs/dbraw/zinc/64/51/31/393645131.db2.gz WXNFDOYEBQVHBN-GXTWGEPZSA-N 1 2 261.369 2.975 40 0 CFABLO CCCCNc1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213651 393645492 /nfs/dbraw/zinc/64/54/92/393645492.db2.gz HFDBGJQQGWYMFT-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2nccs2)C1 ZINC000585094656 395100119 /nfs/dbraw/zinc/10/01/19/395100119.db2.gz QXUYTCGBBMKJAJ-ZDUSSCGKSA-N 1 2 291.420 2.613 40 0 CFABLO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2nccs2)C1 ZINC000585094656 395100124 /nfs/dbraw/zinc/10/01/24/395100124.db2.gz QXUYTCGBBMKJAJ-ZDUSSCGKSA-N 1 2 291.420 2.613 40 0 CFABLO CC[NH+](CC)Cn1nc(-c2ccncc2)oc1=S ZINC000005794715 170140741 /nfs/dbraw/zinc/14/07/41/170140741.db2.gz WLJNTUIYBGBZRA-UHFFFAOYSA-N 1 2 264.354 2.567 40 0 CFABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccn3)CC2)o1 ZINC000072346338 176373206 /nfs/dbraw/zinc/37/32/06/176373206.db2.gz ZFQSPLAHDBZLLI-UHFFFAOYSA-N 1 2 297.358 2.711 40 0 CFABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccn3)CC2)o1 ZINC000072346338 176373207 /nfs/dbraw/zinc/37/32/07/176373207.db2.gz ZFQSPLAHDBZLLI-UHFFFAOYSA-N 1 2 297.358 2.711 40 0 CFABLO CNc1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000072363881 176378540 /nfs/dbraw/zinc/37/85/40/176378540.db2.gz STKMWSIDXJELLU-CQSZACIVSA-N 1 2 296.374 2.538 40 0 CFABLO CC(C)c1nc2sc3c(c2c(NN)[nH+]1)CCCC3 ZINC000000413270 278078836 /nfs/dbraw/zinc/07/88/36/278078836.db2.gz OGMQCZSOGMYXKH-UHFFFAOYSA-N 1 2 262.382 2.979 40 0 CFABLO Cc1cn2c(cccc2[C@H]2CCCN2c2ncccn2)[nH+]1 ZINC000257234221 302321392 /nfs/dbraw/zinc/32/13/92/302321392.db2.gz GSQVEIGTAAHLFP-CYBMUJFWSA-N 1 2 279.347 2.774 40 0 CFABLO Cc1nc(N2CCCC[C@H]2c2csc(N)n2)cc[nH+]1 ZINC000072369096 302709217 /nfs/dbraw/zinc/70/92/17/302709217.db2.gz QMTPAGLNWDFDQK-NSHDSACASA-N 1 2 275.381 2.555 40 0 CFABLO COc1cccc(-c2nc([C@H]([NH3+])c3ccc(C)cc3)n[nH]2)c1 ZINC000095534093 185007574 /nfs/dbraw/zinc/00/75/74/185007574.db2.gz QHBVDEAZTKRFAG-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000095738944 185023833 /nfs/dbraw/zinc/02/38/33/185023833.db2.gz ZACFCKSRMNAMCY-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044813 185072110 /nfs/dbraw/zinc/07/21/10/185072110.db2.gz XDNOEJRRSTXRGI-CYBMUJFWSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044813 185072111 /nfs/dbraw/zinc/07/21/11/185072111.db2.gz XDNOEJRRSTXRGI-CYBMUJFWSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1CN(Cc2ccsc2)Cc2[nH+]cn(C)c21 ZINC000096044813 185072113 /nfs/dbraw/zinc/07/21/13/185072113.db2.gz XDNOEJRRSTXRGI-CYBMUJFWSA-N 1 2 291.420 2.618 40 0 CFABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000129995881 136388215 /nfs/dbraw/zinc/38/82/15/136388215.db2.gz OIDRMMHHFPOTFF-ZDUSSCGKSA-N 1 2 287.388 2.542 40 0 CFABLO CCNc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CC)n1 ZINC000328957079 202130226 /nfs/dbraw/zinc/13/02/26/202130226.db2.gz AJACGERICBJPNT-LBPRGKRZSA-N 1 2 270.380 2.630 40 0 CFABLO CNc1nc(Nc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329010831 202151425 /nfs/dbraw/zinc/15/14/25/202151425.db2.gz MCFRHOKYYWACNK-UHFFFAOYSA-N 1 2 295.321 2.885 40 0 CFABLO CNc1nc(Nc2cccc(SC)c2)cc(C2CC2)[nH+]1 ZINC000329016815 202154533 /nfs/dbraw/zinc/15/45/33/202154533.db2.gz NHVAQKYIWVHXRS-UHFFFAOYSA-N 1 2 286.404 2.705 40 0 CFABLO CCOC(=O)c1cccc2c[nH+]c(SCC)n21 ZINC000196064043 540880805 /nfs/dbraw/zinc/88/08/05/540880805.db2.gz KDNCUNYBVAUAQC-UHFFFAOYSA-N 1 2 250.323 2.623 40 0 CFABLO COc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000001463141 371677422 /nfs/dbraw/zinc/67/74/22/371677422.db2.gz OSLXRBZZVSPUTA-UHFFFAOYSA-N 1 2 253.305 2.955 40 0 CFABLO CN(C)c1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001576835 371683484 /nfs/dbraw/zinc/68/34/84/371683484.db2.gz RVYJIDIQWRXHOH-UHFFFAOYSA-N 1 2 273.727 2.535 40 0 CFABLO CNc1nc(Nc2ccc(Br)cc2)cc(N)[nH+]1 ZINC000001609669 371686834 /nfs/dbraw/zinc/68/68/34/371686834.db2.gz QTFKWEQSUPHEKE-UHFFFAOYSA-N 1 2 294.156 2.607 40 0 CFABLO CNc1nc(N)cc(Nc2ccc(Br)cc2)[nH+]1 ZINC000001609669 371686838 /nfs/dbraw/zinc/68/68/38/371686838.db2.gz QTFKWEQSUPHEKE-UHFFFAOYSA-N 1 2 294.156 2.607 40 0 CFABLO Cc1[nH+]c(N)nc(N(C)c2ccccc2)c1Br ZINC000001682043 371696515 /nfs/dbraw/zinc/69/65/15/371696515.db2.gz GRCPGNCORNLSSY-UHFFFAOYSA-N 1 2 293.168 2.898 40 0 CFABLO CCCCNc1[nH+]cnc2c1cnn2[C@H]1CCCCO1 ZINC000001678774 371696823 /nfs/dbraw/zinc/69/68/23/371696823.db2.gz CXXIGAKILZGRRY-GFCCVEGCSA-N 1 2 275.356 2.737 40 0 CFABLO Cn1c2ccc(N)cc2[nH+]c1-c1ccc2[nH]cnc2c1 ZINC000004243974 371843996 /nfs/dbraw/zinc/84/39/96/371843996.db2.gz DCQYXMQXZWDIMA-UHFFFAOYSA-N 1 2 263.304 2.699 40 0 CFABLO Cn1c2ccc(N)cc2[nH+]c1-c1ccc2nc[nH]c2c1 ZINC000004243974 371843999 /nfs/dbraw/zinc/84/39/99/371843999.db2.gz DCQYXMQXZWDIMA-UHFFFAOYSA-N 1 2 263.304 2.699 40 0 CFABLO Cc1ccc(CN(Cc2c[nH+]cn2C)C[C@H]2CCCO2)o1 ZINC000012147097 371946291 /nfs/dbraw/zinc/94/62/91/371946291.db2.gz JWIFJDUYCKLJNB-OAHLLOKOSA-N 1 2 289.379 2.503 40 0 CFABLO Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674807 372089750 /nfs/dbraw/zinc/08/97/50/372089750.db2.gz STYLBFWIEHCUIY-CABCVRRESA-N 1 2 299.374 2.563 40 0 biogenic,in-vitro CFABLO Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 ZINC000015674807 372089758 /nfs/dbraw/zinc/08/97/58/372089758.db2.gz STYLBFWIEHCUIY-CABCVRRESA-N 1 2 299.374 2.563 40 0 biogenic,in-vitro CFABLO Cc1cc(C)n([C@H](C)Cn2c[nH+]cc2-c2cn(C)nc2C)n1 ZINC000019719436 372180084 /nfs/dbraw/zinc/18/00/84/372180084.db2.gz IQAOFAGJRYGDKL-CYBMUJFWSA-N 1 2 298.394 2.667 40 0 CFABLO CCn1cc(-c2c[nH+]cn2C[C@H](C)n2nc(C)cc2C)cn1 ZINC000019719625 372180258 /nfs/dbraw/zinc/18/02/58/372180258.db2.gz QNBBZRFRXAKJTO-AWEZNQCLSA-N 1 2 298.394 2.841 40 0 CFABLO Cc1cc2occ(CC(=O)NCc3[nH+]ccn3C)c2c(C)c1 ZINC000019568470 372173236 /nfs/dbraw/zinc/17/32/36/372173236.db2.gz OWHYPMIEERWBQX-UHFFFAOYSA-N 1 2 297.358 2.642 40 0 CFABLO COC(=O)[C@@]1(C)[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000036056725 372553357 /nfs/dbraw/zinc/55/33/57/372553357.db2.gz YZEVDQWQFBFKNX-INIZCTEOSA-N 1 2 273.376 2.923 40 0 CFABLO Cc1cc2[nH+]cn(Cc3noc(C4CC4)n3)c2cc1C ZINC000041146297 372819729 /nfs/dbraw/zinc/81/97/29/372819729.db2.gz RLHHZHKWLSGIDD-UHFFFAOYSA-N 1 2 268.320 2.962 40 0 CFABLO CSc1nc(Nc2ccc(F)cc2)cc(N)[nH+]1 ZINC000049467366 373299070 /nfs/dbraw/zinc/29/90/70/373299070.db2.gz HETPVHKSEGGMCT-UHFFFAOYSA-N 1 2 250.302 2.663 40 0 CFABLO CSc1nc(N)cc(Nc2ccc(F)cc2)[nH+]1 ZINC000049467366 373299081 /nfs/dbraw/zinc/29/90/81/373299081.db2.gz HETPVHKSEGGMCT-UHFFFAOYSA-N 1 2 250.302 2.663 40 0 CFABLO COc1ccc(C)cc1Nc1cc(N)[nH+]c(SC)n1 ZINC000049467435 373299333 /nfs/dbraw/zinc/29/93/33/373299333.db2.gz UGUNOONNTCHYMV-UHFFFAOYSA-N 1 2 276.365 2.841 40 0 CFABLO CNc1cccc([C@H]2CCCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000072364316 374246358 /nfs/dbraw/zinc/24/63/58/374246358.db2.gz ODDWGEBNTSQUSI-ZDUSSCGKSA-N 1 2 283.379 2.606 40 0 CFABLO COc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256049671 190002684 /nfs/dbraw/zinc/00/26/84/190002684.db2.gz AWWHICYJWXSFDU-UHFFFAOYSA-N 1 2 299.296 2.737 40 0 CFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cncs2)cc[nH+]1 ZINC000257214326 190013458 /nfs/dbraw/zinc/01/34/58/190013458.db2.gz CLPAFZJXMJRYBI-NSHDSACASA-N 1 2 288.376 2.557 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257233840 190016716 /nfs/dbraw/zinc/01/67/16/190016716.db2.gz GQZANLNWIUENSN-LLVKDONJSA-N 1 2 275.377 2.718 40 0 CFABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257242386 190018320 /nfs/dbraw/zinc/01/83/20/190018320.db2.gz ICFSLPBLDQRMFA-INIZCTEOSA-N 1 2 297.402 2.596 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN2Cc2cscn2)[nH+]1 ZINC000257259018 190021522 /nfs/dbraw/zinc/02/15/22/190021522.db2.gz KWLJMAVEHVRXJX-LBPRGKRZSA-N 1 2 262.382 2.522 40 0 CFABLO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+]C2 ZINC000257322869 190034002 /nfs/dbraw/zinc/03/40/02/190034002.db2.gz WHTPRKYBYMSDRJ-JTOWHCCKSA-N 1 2 299.418 2.525 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257326214 190034365 /nfs/dbraw/zinc/03/43/65/190034365.db2.gz WWHPMFUGGGDJPG-OAHLLOKOSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257326214 190034366 /nfs/dbraw/zinc/03/43/66/190034366.db2.gz WWHPMFUGGGDJPG-OAHLLOKOSA-N 1 2 299.374 2.796 40 0 CFABLO COc1ccc([C@H]2CN(Cc3ccncc3)CC[N@@H+]2C)cc1 ZINC000257333893 190035966 /nfs/dbraw/zinc/03/59/66/190035966.db2.gz YDOAVRIBFYPIAY-GOSISDBHSA-N 1 2 297.402 2.579 40 0 CFABLO COc1ccc([C@H]2CN(Cc3ccncc3)CC[N@H+]2C)cc1 ZINC000257333893 190035967 /nfs/dbraw/zinc/03/59/67/190035967.db2.gz YDOAVRIBFYPIAY-GOSISDBHSA-N 1 2 297.402 2.579 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(F)cc2F)[nH+]1 ZINC000257340761 190036968 /nfs/dbraw/zinc/03/69/68/190036968.db2.gz ZHLIBIVBQWIWKS-ZDUSSCGKSA-N 1 2 291.301 2.974 40 0 CFABLO Cc1cc(NCCO)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000224224031 382809900 /nfs/dbraw/zinc/80/99/00/382809900.db2.gz ZHKSTIHWJRTQIO-UHFFFAOYSA-N 1 2 263.728 2.510 40 0 CFABLO Cc1cnc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257249567 383493670 /nfs/dbraw/zinc/49/36/70/383493670.db2.gz JIXNYSJOPRQTGJ-GFCCVEGCSA-N 1 2 274.393 2.934 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257319242 383494991 /nfs/dbraw/zinc/49/49/91/383494991.db2.gz VRMCJBOCYCLOGN-GFCCVEGCSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257319242 383494994 /nfs/dbraw/zinc/49/49/94/383494994.db2.gz VRMCJBOCYCLOGN-GFCCVEGCSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257319242 383494996 /nfs/dbraw/zinc/49/49/96/383494996.db2.gz VRMCJBOCYCLOGN-GFCCVEGCSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257319242 383495000 /nfs/dbraw/zinc/49/50/00/383495000.db2.gz VRMCJBOCYCLOGN-GFCCVEGCSA-N 1 2 262.382 2.902 40 0 CFABLO [NH3+][C@@H](Cc1ccccc1)c1nnc(CNc2ccccc2)[nH]1 ZINC000095534858 256745210 /nfs/dbraw/zinc/74/52/10/256745210.db2.gz SBCAJQUTIWVARH-HNNXBMFYSA-N 1 2 293.374 2.659 40 0 CFABLO [NH3+][C@@H](Cc1ccccc1)c1n[nH]c(CNc2ccccc2)n1 ZINC000095534858 256745211 /nfs/dbraw/zinc/74/52/11/256745211.db2.gz SBCAJQUTIWVARH-HNNXBMFYSA-N 1 2 293.374 2.659 40 0 CFABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCN1C=O)C(C)C ZINC000072213003 393643384 /nfs/dbraw/zinc/64/33/84/393643384.db2.gz RDJBZKWZFLYEOG-HNNXBMFYSA-N 1 2 275.396 2.998 40 0 CFABLO CC(C)CNc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072213346 393643733 /nfs/dbraw/zinc/64/37/33/393643733.db2.gz UMZAZBOIKAPZFM-AWEZNQCLSA-N 1 2 261.369 2.833 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N ZINC000072212415 393644045 /nfs/dbraw/zinc/64/40/45/393644045.db2.gz OIUBDFSJPCIEIK-LLVKDONJSA-N 1 2 263.341 2.736 40 0 CFABLO Nc1[nH+]cccc1[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000072212426 393644182 /nfs/dbraw/zinc/64/41/82/393644182.db2.gz GVJRNXRAVBJUIG-AWEZNQCLSA-N 1 2 267.332 2.641 40 0 CFABLO [NH3+][C@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533277 393813002 /nfs/dbraw/zinc/81/30/02/393813002.db2.gz PNRGFYCWQKURSF-HNNXBMFYSA-N 1 2 297.337 2.604 40 0 CFABLO [NH3+][C@H](c1nnc(CNc2ccccc2)[nH]1)c1ccc(F)cc1 ZINC000095533277 393813007 /nfs/dbraw/zinc/81/30/07/393813007.db2.gz PNRGFYCWQKURSF-HNNXBMFYSA-N 1 2 297.337 2.604 40 0 CFABLO [NH3+][C@H](c1n[nH]c(CNc2ccccc2)n1)c1ccc(F)cc1 ZINC000095533277 393813011 /nfs/dbraw/zinc/81/30/11/393813011.db2.gz PNRGFYCWQKURSF-HNNXBMFYSA-N 1 2 297.337 2.604 40 0 CFABLO O[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000004908549 170039739 /nfs/dbraw/zinc/03/97/39/170039739.db2.gz NIONDRKHJKYTJT-QGZVFWFLSA-N 1 2 294.354 2.990 40 0 CFABLO C[C@H]1[C@H](NC(=S)NCCCn2cc[nH+]c2)CCC[C@@H]1C ZINC000006628333 170220357 /nfs/dbraw/zinc/22/03/57/170220357.db2.gz IZFSKXIHZCMFPI-BFHYXJOUSA-N 1 2 294.468 2.562 40 0 CFABLO CCc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000007502197 170287567 /nfs/dbraw/zinc/28/75/67/170287567.db2.gz APRXZRRHZZHJCM-UHFFFAOYSA-N 1 2 288.420 2.822 40 0 CFABLO O[C@](/C=C/c1ccccc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115047 171352832 /nfs/dbraw/zinc/35/28/32/171352832.db2.gz ZNBAWCRBLQBEDB-QZEKMECESA-N 1 2 291.354 2.879 40 0 CFABLO CCC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038859504 174158390 /nfs/dbraw/zinc/15/83/90/174158390.db2.gz CQOMDLMODWQTEM-CYBMUJFWSA-N 1 2 271.364 2.850 40 0 CFABLO C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203922 176341907 /nfs/dbraw/zinc/34/19/07/176341907.db2.gz KZYNOKVNUXFIRW-ZDUSSCGKSA-N 1 2 291.395 2.695 40 0 CFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(C)=O)n1 ZINC000072355658 176374841 /nfs/dbraw/zinc/37/48/41/176374841.db2.gz YRQZQUGAVZVIJM-AWEZNQCLSA-N 1 2 284.363 2.513 40 0 CFABLO Cc1csc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072381859 176387543 /nfs/dbraw/zinc/38/75/43/176387543.db2.gz JGTXXNOVKGUCSV-NSHDSACASA-N 1 2 260.366 2.891 40 0 CFABLO Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000175208678 261214084 /nfs/dbraw/zinc/21/40/84/261214084.db2.gz AQUUCQVDCUABSS-UHFFFAOYSA-N 1 2 266.344 2.949 40 0 CFABLO CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1NC ZINC000050843271 521575132 /nfs/dbraw/zinc/57/51/32/521575132.db2.gz UEORYRIJJLJIQQ-UHFFFAOYSA-N 1 2 262.284 2.901 40 0 CFABLO CNc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328962579 524037147 /nfs/dbraw/zinc/03/71/47/524037147.db2.gz BJNKUEOOSBJPLC-UHFFFAOYSA-N 1 2 290.370 2.641 40 0 CFABLO CCc1ccc2[nH+]c(C)cc(OCC(=O)OC)c2c1 ZINC000062719727 524060148 /nfs/dbraw/zinc/06/01/48/524060148.db2.gz OHGFEWFWMGBMMF-UHFFFAOYSA-N 1 2 259.305 2.657 40 0 CFABLO [NH3+][C@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533422 185005908 /nfs/dbraw/zinc/00/59/08/185005908.db2.gz YGJAXLRADRGUCJ-HNNXBMFYSA-N 1 2 298.321 2.571 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC)nc21 ZINC000096059903 185080396 /nfs/dbraw/zinc/08/03/96/185080396.db2.gz QFZPTWOXPBKZAG-OAHLLOKOSA-N 1 2 289.379 2.632 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC)nc21 ZINC000096059903 185080398 /nfs/dbraw/zinc/08/03/98/185080398.db2.gz QFZPTWOXPBKZAG-OAHLLOKOSA-N 1 2 289.379 2.632 40 0 CFABLO C[N@@H+]1CCN(C(=O)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000039200522 346341367 /nfs/dbraw/zinc/34/13/67/346341367.db2.gz FXBZTBBRJZNNQS-OAHLLOKOSA-N 1 2 286.400 2.877 40 0 CFABLO C[N@H+]1CCN(C(=O)c2ccsc2)C[C@@H]1c1ccccc1 ZINC000039200522 346341370 /nfs/dbraw/zinc/34/13/70/346341370.db2.gz FXBZTBBRJZNNQS-OAHLLOKOSA-N 1 2 286.400 2.877 40 0 CFABLO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000107249315 186164815 /nfs/dbraw/zinc/16/48/15/186164815.db2.gz RERNFYCIMYFUNB-ZFWWWQNUSA-N 1 2 292.810 2.639 40 0 CFABLO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000107249315 186164817 /nfs/dbraw/zinc/16/48/17/186164817.db2.gz RERNFYCIMYFUNB-ZFWWWQNUSA-N 1 2 292.810 2.639 40 0 CFABLO CNc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000328982007 202139513 /nfs/dbraw/zinc/13/95/13/202139513.db2.gz GXMMAUZBFUXGBF-UHFFFAOYSA-N 1 2 292.745 2.776 40 0 CFABLO CCc1c(N)nc(N)[nH+]c1Nc1ccc(C)c(C)c1 ZINC000001682046 371696926 /nfs/dbraw/zinc/69/69/26/371696926.db2.gz GVFIELPUKRRFGR-UHFFFAOYSA-N 1 2 257.341 2.564 40 0 CFABLO Cc1c(C)n(C)c2ccc(C(=O)NC3=[NH+]CCS3)cc12 ZINC000002760175 371751233 /nfs/dbraw/zinc/75/12/33/371751233.db2.gz MYNUJMOWOTYIAX-UHFFFAOYSA-N 1 2 287.388 2.628 40 0 CFABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccncc1 ZINC000019286693 372154543 /nfs/dbraw/zinc/15/45/43/372154543.db2.gz ANBCATIRFVHPIL-GFCCVEGCSA-N 1 2 294.358 2.617 40 0 CFABLO c1ccc(CO[C@@H]2[NH2+]CCN2Cc2ccccc2)cc1 ZINC000019326382 372155961 /nfs/dbraw/zinc/15/59/61/372155961.db2.gz WFGMVJBYUYKXKC-QGZVFWFLSA-N 1 2 268.360 2.592 40 0 in-vitro CFABLO CC(C)NC(=O)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019450197 372164170 /nfs/dbraw/zinc/16/41/70/372164170.db2.gz AZEWXYJLJJSOJM-UHFFFAOYSA-N 1 2 294.358 2.801 40 0 CFABLO Fc1cccc(OC2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000019657017 372178215 /nfs/dbraw/zinc/17/82/15/372178215.db2.gz HWKVTNCJLKIYCF-UHFFFAOYSA-N 1 2 275.327 2.592 40 0 CFABLO Fc1cccc(OC2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000019657017 372178221 /nfs/dbraw/zinc/17/82/21/372178221.db2.gz HWKVTNCJLKIYCF-UHFFFAOYSA-N 1 2 275.327 2.592 40 0 CFABLO CCOC(=O)c1cc(N)ccc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000041081925 372810865 /nfs/dbraw/zinc/81/08/65/372810865.db2.gz SJHJSROUANFNSS-TXEJJXNPSA-N 1 2 276.380 2.928 40 0 CFABLO CCOC(=O)c1cc(N)ccc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000041081925 372810869 /nfs/dbraw/zinc/81/08/69/372810869.db2.gz SJHJSROUANFNSS-TXEJJXNPSA-N 1 2 276.380 2.928 40 0 CFABLO Cc1c(C)c2c(cc1Br)C(=O)[C@@H]([NH+](C)C)CO2 ZINC000055125439 373542042 /nfs/dbraw/zinc/54/20/42/373542042.db2.gz OBMRTHJRGCUDFF-NSHDSACASA-N 1 2 298.180 2.571 40 0 CFABLO CC(C)(C)c1cc(CC2([NH2+]Cc3ccco3)COC2)no1 ZINC000067897843 374014020 /nfs/dbraw/zinc/01/40/20/374014020.db2.gz RGCRROMXJZZBFO-UHFFFAOYSA-N 1 2 290.363 2.666 40 0 biogenic,in-vitro CFABLO O[C@H](c1ccccc1)C(F)(F)C(F)(F)n1cc[nH+]c1 ZINC000070450800 374178096 /nfs/dbraw/zinc/17/80/96/374178096.db2.gz KHLFQYGDPYXMIX-SNVBAGLBSA-N 1 2 274.217 2.801 40 0 CFABLO O[C@@H](c1ccccc1)C(F)(F)C(F)(F)n1cc[nH+]c1 ZINC000070450799 374178315 /nfs/dbraw/zinc/17/83/15/374178315.db2.gz KHLFQYGDPYXMIX-JTQLQIEISA-N 1 2 274.217 2.801 40 0 CFABLO Cc1nc(N2CCC[C@H](c3ccncc3)C2)cc[nH+]1 ZINC000072369072 374246989 /nfs/dbraw/zinc/24/69/89/374246989.db2.gz GZOIRSVXUQIOSR-AWEZNQCLSA-N 1 2 254.337 2.564 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)[nH+]1 ZINC000257203999 190011495 /nfs/dbraw/zinc/01/14/95/190011495.db2.gz ASOWJJTUXFOWBK-GFCCVEGCSA-N 1 2 297.349 2.860 40 0 CFABLO Cc1cc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)nc(C)n1 ZINC000257223808 190014986 /nfs/dbraw/zinc/01/49/86/190014986.db2.gz DYYWENMOCFVMMJ-HNNXBMFYSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1cc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)nc(C)n1 ZINC000257223808 190014987 /nfs/dbraw/zinc/01/49/87/190014987.db2.gz DYYWENMOCFVMMJ-HNNXBMFYSA-N 1 2 289.404 2.728 40 0 CFABLO c1cn2c(n1)nccc2[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000257248035 190019695 /nfs/dbraw/zinc/01/96/95/190019695.db2.gz JBTJHCOALAXVET-LBPRGKRZSA-N 1 2 285.376 2.523 40 0 CFABLO c1cn2c(n1)nccc2[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000257248035 190019696 /nfs/dbraw/zinc/01/96/96/190019696.db2.gz JBTJHCOALAXVET-LBPRGKRZSA-N 1 2 285.376 2.523 40 0 CFABLO c1cc([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257260565 190022325 /nfs/dbraw/zinc/02/23/25/190022325.db2.gz LDKCYBNISURFQB-OAHLLOKOSA-N 1 2 281.359 2.675 40 0 CFABLO c1cc([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257260565 190022326 /nfs/dbraw/zinc/02/23/26/190022326.db2.gz LDKCYBNISURFQB-OAHLLOKOSA-N 1 2 281.359 2.675 40 0 CFABLO COc1ccc([C@H]2CN(Cc3ccccn3)CC[N@@H+]2C)cc1 ZINC000257260605 190022457 /nfs/dbraw/zinc/02/24/57/190022457.db2.gz LDNRCPTUOHMSOH-GOSISDBHSA-N 1 2 297.402 2.579 40 0 CFABLO COc1ccc([C@H]2CN(Cc3ccccn3)CC[N@H+]2C)cc1 ZINC000257260605 190022458 /nfs/dbraw/zinc/02/24/58/190022458.db2.gz LDNRCPTUOHMSOH-GOSISDBHSA-N 1 2 297.402 2.579 40 0 CFABLO c1cc([C@H]2CCC[N@H+]2Cc2cnc3ccccc3n2)n[nH]1 ZINC000257260781 190022496 /nfs/dbraw/zinc/02/24/96/190022496.db2.gz LEHSEWAUSROMAA-MRXNPFEDSA-N 1 2 279.347 2.690 40 0 CFABLO c1cc([C@H]2CCC[N@@H+]2Cc2cnc3ccccc3n2)n[nH]1 ZINC000257260781 190022497 /nfs/dbraw/zinc/02/24/97/190022497.db2.gz LEHSEWAUSROMAA-MRXNPFEDSA-N 1 2 279.347 2.690 40 0 CFABLO CNc1cc(C)nc([C@@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257282031 190026602 /nfs/dbraw/zinc/02/66/02/190026602.db2.gz ORZVIKKEDVAUGT-QGZVFWFLSA-N 1 2 297.406 2.733 40 0 CFABLO CNc1cc(C)nc([C@@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257282031 190026603 /nfs/dbraw/zinc/02/66/03/190026603.db2.gz ORZVIKKEDVAUGT-QGZVFWFLSA-N 1 2 297.406 2.733 40 0 CFABLO CNc1cc(C)nc([C@]2(C)CCC[N@@H+]2Cc2ccncc2)n1 ZINC000257293607 190028449 /nfs/dbraw/zinc/02/84/49/190028449.db2.gz QQJDKOVUEAHIKY-KRWDZBQOSA-N 1 2 297.406 2.733 40 0 CFABLO CNc1cc(C)nc([C@]2(C)CCC[N@H+]2Cc2ccncc2)n1 ZINC000257293607 190028450 /nfs/dbraw/zinc/02/84/50/190028450.db2.gz QQJDKOVUEAHIKY-KRWDZBQOSA-N 1 2 297.406 2.733 40 0 CFABLO CCc1ccc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257298977 190029736 /nfs/dbraw/zinc/02/97/36/190029736.db2.gz ROEFQCRVFPWGRR-HNNXBMFYSA-N 1 2 283.375 2.910 40 0 CFABLO c1cc2nc([C@H]3CCCC[N@H+]3Cc3cncs3)ccn2n1 ZINC000257331199 190035627 /nfs/dbraw/zinc/03/56/27/190035627.db2.gz XRUKEPRZLVLPKA-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO c1cc2nc([C@H]3CCCC[N@@H+]3Cc3cncs3)ccn2n1 ZINC000257331199 190035628 /nfs/dbraw/zinc/03/56/28/190035628.db2.gz XRUKEPRZLVLPKA-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2Cc2nc3ccccc3n2C)[nH+]1 ZINC000257345056 190037536 /nfs/dbraw/zinc/03/75/36/190037536.db2.gz ZZTRXZOQTOKWFP-OAHLLOKOSA-N 1 2 295.390 2.942 40 0 CFABLO COCCC1(NC(=S)Nc2cc[nH+]cc2)CCCC1 ZINC000225874547 382823041 /nfs/dbraw/zinc/82/30/41/382823041.db2.gz BBHRBOZYGMUXAQ-UHFFFAOYSA-N 1 2 279.409 2.717 40 0 CFABLO Cc1nc(N2CCC[C@@H](c3nccs3)C2)cc[nH+]1 ZINC000257324015 383494235 /nfs/dbraw/zinc/49/42/35/383494235.db2.gz WMVBOSUMJNAMAD-LLVKDONJSA-N 1 2 260.366 2.626 40 0 CFABLO Cc1cc(N2CCC[C@@H](c3cccc4[nH+]ccn43)C2)ncn1 ZINC000257305162 383494284 /nfs/dbraw/zinc/49/42/84/383494284.db2.gz SORTVYCLNWBCRX-CQSZACIVSA-N 1 2 293.374 2.817 40 0 CFABLO Cc1cn2c(cccc2C2CCN(c3ccncn3)CC2)[nH+]1 ZINC000257286638 383494634 /nfs/dbraw/zinc/49/46/34/383494634.db2.gz PMIFDUZEBHSAMP-UHFFFAOYSA-N 1 2 293.374 2.817 40 0 CFABLO Cc1nc(N2CCC(Cc3ccncc3)CC2)cc[nH+]1 ZINC000257293972 383495240 /nfs/dbraw/zinc/49/52/40/383495240.db2.gz QRXPKICZGIJXFM-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072213286 393643517 /nfs/dbraw/zinc/64/35/17/393643517.db2.gz KXXIJTWNAOPNCQ-AWEZNQCLSA-N 1 2 261.369 2.833 40 0 CFABLO CCn1cc(C[NH2+]Cc2csc(C3CCC3)n2)cn1 ZINC000095093908 393811530 /nfs/dbraw/zinc/81/15/30/393811530.db2.gz SRMZXJJCXNMTEO-UHFFFAOYSA-N 1 2 276.409 2.917 40 0 CFABLO O[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000004908555 170039684 /nfs/dbraw/zinc/03/96/84/170039684.db2.gz NIONDRKHJKYTJT-KRWDZBQOSA-N 1 2 294.354 2.990 40 0 CFABLO CCn1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(C)n1 ZINC000072379975 176387125 /nfs/dbraw/zinc/38/71/25/176387125.db2.gz GGCSQDMLDIXUNL-HNNXBMFYSA-N 1 2 285.395 2.729 40 0 CFABLO CCn1ccnc1C[N@@H+]1CCCC[C@H]1c1ccnc(C)n1 ZINC000072379975 176387127 /nfs/dbraw/zinc/38/71/27/176387127.db2.gz GGCSQDMLDIXUNL-HNNXBMFYSA-N 1 2 285.395 2.729 40 0 CFABLO CCn1ccnc1C[N@H+]1CCCC[C@H]1c1ccnc(C)n1 ZINC000072379975 176387128 /nfs/dbraw/zinc/38/71/28/176387128.db2.gz GGCSQDMLDIXUNL-HNNXBMFYSA-N 1 2 285.395 2.729 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1cccc(C)n1 ZINC000072385799 176390567 /nfs/dbraw/zinc/39/05/67/176390567.db2.gz LTQJMZFEEYNFNT-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCC[N@H+]1Cc1cccc(C)n1 ZINC000072385799 176390569 /nfs/dbraw/zinc/39/05/69/176390569.db2.gz LTQJMZFEEYNFNT-CQSZACIVSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCC2CCCC2)[nH+]1 ZINC000257307421 301024808 /nfs/dbraw/zinc/02/48/08/301024808.db2.gz SYOOIFJDDFYVEN-CQSZACIVSA-N 1 2 291.395 2.588 40 0 CFABLO CCn1cc(C[NH2+]Cc2csc(C3CC3)n2)cn1 ZINC000069876466 523384752 /nfs/dbraw/zinc/38/47/52/523384752.db2.gz NDBWWIZICUFTFU-UHFFFAOYSA-N 1 2 262.382 2.527 40 0 CFABLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ncc[nH]1 ZINC000067667132 527542779 /nfs/dbraw/zinc/54/27/79/527542779.db2.gz KPXRYVRNXZFAFQ-UHFFFAOYSA-N 1 2 281.363 2.502 40 0 CFABLO [NH3+][C@@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533423 185005636 /nfs/dbraw/zinc/00/56/36/185005636.db2.gz YGJAXLRADRGUCJ-OAHLLOKOSA-N 1 2 298.321 2.571 40 0 CFABLO Cc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1 ZINC000095534173 185007283 /nfs/dbraw/zinc/00/72/83/185007283.db2.gz BEDGFQNSIBRVNL-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1 ZINC000095534083 185007463 /nfs/dbraw/zinc/00/74/63/185007463.db2.gz LWHJIBCYNVVUGZ-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(C)cc3)n2)cc1 ZINC000095534083 185007465 /nfs/dbraw/zinc/00/74/65/185007465.db2.gz LWHJIBCYNVVUGZ-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO [NH3+][C@@H](Cc1ccccc1)c1nnc(COc2ccccc2)[nH]1 ZINC000095534824 185008060 /nfs/dbraw/zinc/00/80/60/185008060.db2.gz JXUNOUMUESNONX-HNNXBMFYSA-N 1 2 294.358 2.626 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH+]1 ZINC000585181434 348737773 /nfs/dbraw/zinc/73/77/73/348737773.db2.gz NCUSUIMPZMVHPV-CYBMUJFWSA-N 1 2 294.358 2.829 40 0 CFABLO CCCCn1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c(C)n1 ZINC000585181901 348737926 /nfs/dbraw/zinc/73/79/26/348737926.db2.gz GIEKDUGHGZOZBT-AWEZNQCLSA-N 1 2 287.411 2.704 40 0 CFABLO CCNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328990929 202141984 /nfs/dbraw/zinc/14/19/84/202141984.db2.gz IQGZNWQLZFCDNR-UHFFFAOYSA-N 1 2 282.391 2.774 40 0 CFABLO Fc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329014819 202151175 /nfs/dbraw/zinc/15/11/75/202151175.db2.gz MYUDQRJMDDOXEP-UHFFFAOYSA-N 1 2 284.338 2.655 40 0 CFABLO c1ccc(C[C@H]2C[N@H+](Cc3cccnc3)CCO2)cc1 ZINC000181564358 189300998 /nfs/dbraw/zinc/30/09/98/189300998.db2.gz AKHYWAFLUSACLE-KRWDZBQOSA-N 1 2 268.360 2.525 40 0 CFABLO c1ccc(C[C@H]2C[N@@H+](Cc3cccnc3)CCO2)cc1 ZINC000181564358 189300999 /nfs/dbraw/zinc/30/09/99/189300999.db2.gz AKHYWAFLUSACLE-KRWDZBQOSA-N 1 2 268.360 2.525 40 0 CFABLO c1ccc2c(c1)-c1ccccc1C2NC1=[NH+]CCO1 ZINC000001639220 371689295 /nfs/dbraw/zinc/68/92/95/371689295.db2.gz YXWWPDIUHXAGNG-UHFFFAOYSA-N 1 2 250.301 2.732 40 0 CFABLO CC(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012114987 371945449 /nfs/dbraw/zinc/94/54/49/371945449.db2.gz BJQQBOBEESGJAC-ZDUSSCGKSA-N 1 2 293.317 2.560 40 0 CFABLO CCCC[NH+](CCCC)[C@@]1(O)C(=O)Nc2ccccc21 ZINC000016638713 372114828 /nfs/dbraw/zinc/11/48/28/372114828.db2.gz WYXKEVQIGKJRGI-INIZCTEOSA-N 1 2 276.380 2.686 40 0 CFABLO Cc1cccc(OCCn2c[nH+]cc2-c2cnn(C)c2)c1C ZINC000019719491 372180566 /nfs/dbraw/zinc/18/05/66/372180566.db2.gz FSJQNFUXGFLAGY-UHFFFAOYSA-N 1 2 296.374 2.979 40 0 CFABLO Oc1ccc(CNc2cccc[nH+]2)c2cccnc12 ZINC000033329160 372492084 /nfs/dbraw/zinc/49/20/84/372492084.db2.gz FEKDIEXJLUWHRY-UHFFFAOYSA-N 1 2 251.289 2.948 40 0 CFABLO COc1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)cc1 ZINC000049467626 373300164 /nfs/dbraw/zinc/30/01/64/373300164.db2.gz QFMAUEQYYYZIKZ-UHFFFAOYSA-N 1 2 256.309 2.688 40 0 CFABLO COCCc1nc(Nc2ccc(C)c(C)c2)cc(N)[nH+]1 ZINC000049467692 373301171 /nfs/dbraw/zinc/30/11/71/373301171.db2.gz CACMQGJLRBOJBM-UHFFFAOYSA-N 1 2 272.352 2.608 40 0 CFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000055695774 373558442 /nfs/dbraw/zinc/55/84/42/373558442.db2.gz OWSFYUWIYRJBAC-UHFFFAOYSA-N 1 2 277.327 2.802 40 0 CFABLO c1[nH]c([C@@H]2COCC[N@H+]2CC2CC2)nc1-c1ccccc1 ZINC000067898622 374013993 /nfs/dbraw/zinc/01/39/93/374013993.db2.gz ZZKBKTBLPOTICZ-INIZCTEOSA-N 1 2 283.375 2.860 40 0 biogenic,in-vitro CFABLO c1[nH]c([C@@H]2COCC[N@@H+]2CC2CC2)nc1-c1ccccc1 ZINC000067898622 374013998 /nfs/dbraw/zinc/01/39/98/374013998.db2.gz ZZKBKTBLPOTICZ-INIZCTEOSA-N 1 2 283.375 2.860 40 0 biogenic,in-vitro CFABLO COc1ccccc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000084225360 374770277 /nfs/dbraw/zinc/77/02/77/374770277.db2.gz MRJINBLVVMUEIX-UHFFFAOYSA-N 1 2 259.353 2.762 40 0 CFABLO Clc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H]3C2)c(Cl)c1 ZINC000095097774 375415764 /nfs/dbraw/zinc/41/57/64/375415764.db2.gz HVFCKPNHQUHCDI-NWDGAFQWSA-N 1 2 258.148 2.967 40 0 CFABLO Clc1ccc(C[N@H+]2CC[C@@H]3O[C@@H]3C2)c(Cl)c1 ZINC000095097774 375415768 /nfs/dbraw/zinc/41/57/68/375415768.db2.gz HVFCKPNHQUHCDI-NWDGAFQWSA-N 1 2 258.148 2.967 40 0 CFABLO FC(F)n1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256052092 190004219 /nfs/dbraw/zinc/00/42/19/190004219.db2.gz LWXPDLPJRCITFL-UHFFFAOYSA-N 1 2 295.337 2.880 40 0 CFABLO Cc1c[nH]c([C@@H]2COCCN2CCCc2ccccc2)[nH+]1 ZINC000257199607 190011058 /nfs/dbraw/zinc/01/10/58/190011058.db2.gz AACAVJMHQJYODB-INIZCTEOSA-N 1 2 285.391 2.724 40 0 CFABLO c1cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cs1 ZINC000257255576 190020583 /nfs/dbraw/zinc/02/05/83/190020583.db2.gz KIAJRHPZKFAJMG-AWEZNQCLSA-N 1 2 260.362 2.717 40 0 CFABLO c1cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)cs1 ZINC000257255576 190020584 /nfs/dbraw/zinc/02/05/84/190020584.db2.gz KIAJRHPZKFAJMG-AWEZNQCLSA-N 1 2 260.362 2.717 40 0 CFABLO CC(=O)N1CCC[C@@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257239039 190017514 /nfs/dbraw/zinc/01/75/14/190017514.db2.gz HNQSOEUQDGIUBH-CQSZACIVSA-N 1 2 298.390 2.516 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C)cn3)C2)o1 ZINC000257253812 190021120 /nfs/dbraw/zinc/02/11/20/190021120.db2.gz KAJOBKHFGUNNQG-INIZCTEOSA-N 1 2 272.348 2.865 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(C)cn3)C2)o1 ZINC000257253812 190021121 /nfs/dbraw/zinc/02/11/21/190021121.db2.gz KAJOBKHFGUNNQG-INIZCTEOSA-N 1 2 272.348 2.865 40 0 CFABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1ccncn1 ZINC000257320920 190033475 /nfs/dbraw/zinc/03/34/75/190033475.db2.gz VZGRKIHNPPGQOF-OAHLLOKOSA-N 1 2 285.395 2.810 40 0 CFABLO COc1ccc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)c(F)c1 ZINC000257322924 190033961 /nfs/dbraw/zinc/03/39/61/190033961.db2.gz WIAPEAJTZDDNFN-CYBMUJFWSA-N 1 2 289.354 2.855 40 0 CFABLO COc1ccc(C[N@H+]2CC[C@@H](c3n[nH]cc3C)C2)c(F)c1 ZINC000257322924 190033962 /nfs/dbraw/zinc/03/39/62/190033962.db2.gz WIAPEAJTZDDNFN-CYBMUJFWSA-N 1 2 289.354 2.855 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc32)[nH+]1 ZINC000257331548 190035764 /nfs/dbraw/zinc/03/57/64/190035764.db2.gz XTILXSJSUBWJDH-ZDUSSCGKSA-N 1 2 295.346 2.572 40 0 CFABLO CN(C(=O)C1CCCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221666 383493739 /nfs/dbraw/zinc/49/37/39/383493739.db2.gz DQAPWYVHBOSZOO-OAHLLOKOSA-N 1 2 287.407 2.699 40 0 CFABLO CCCNc1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225214 256704310 /nfs/dbraw/zinc/70/43/10/256704310.db2.gz NTICOKCKDARYJU-UHFFFAOYSA-N 1 2 265.357 2.928 40 0 CFABLO C[NH+](C)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000059457404 393625255 /nfs/dbraw/zinc/62/52/55/393625255.db2.gz SKOHYNQFVHGEAL-DEKJKZHBSA-N 1 2 288.372 2.798 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc(NCC(C)C)[nH+]c1 ZINC000072213307 393644229 /nfs/dbraw/zinc/64/42/29/393644229.db2.gz VLKVMNFLUPVJSS-AWEZNQCLSA-N 1 2 261.369 2.833 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216036 393645046 /nfs/dbraw/zinc/64/50/46/393645046.db2.gz FITRELWYHWEJDL-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257233386 393945151 /nfs/dbraw/zinc/94/51/51/393945151.db2.gz GPBWOSJYHUBDJF-OAHLLOKOSA-N 1 2 273.384 2.914 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000257233386 393945156 /nfs/dbraw/zinc/94/51/56/393945156.db2.gz GPBWOSJYHUBDJF-OAHLLOKOSA-N 1 2 273.384 2.914 40 0 CFABLO CCOC(=O)[C@H]1CC=C[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000396174525 397555360 /nfs/dbraw/zinc/55/53/60/397555360.db2.gz GNKZPXOJKHIUEM-UKRRQHHQSA-N 1 2 259.349 2.769 40 0 CFABLO CCOC(=O)[C@H]1CC=C[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000396174525 397555365 /nfs/dbraw/zinc/55/53/65/397555365.db2.gz GNKZPXOJKHIUEM-UKRRQHHQSA-N 1 2 259.349 2.769 40 0 CFABLO C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000044914439 175276413 /nfs/dbraw/zinc/27/64/13/175276413.db2.gz MBMOFDVXKOBECT-CQSZACIVSA-N 1 2 283.375 2.804 40 0 CFABLO CCOC(=O)Cc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000045929543 175387234 /nfs/dbraw/zinc/38/72/34/175387234.db2.gz RLYAWEMGSQJTSO-UHFFFAOYSA-N 1 2 297.152 2.511 40 0 CFABLO CCC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2CC)n1 ZINC000072355656 176374621 /nfs/dbraw/zinc/37/46/21/176374621.db2.gz XKVMYWADWZUJTB-AWEZNQCLSA-N 1 2 298.390 2.903 40 0 CFABLO Cc1cccc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385511 176390131 /nfs/dbraw/zinc/39/01/31/176390131.db2.gz LJHTZARNYUHFPI-CQSZACIVSA-N 1 2 254.337 2.830 40 0 CFABLO CNc1cccc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385561 176390429 /nfs/dbraw/zinc/39/04/29/176390429.db2.gz UDAIGBYWTNPUJX-CYBMUJFWSA-N 1 2 269.352 2.563 40 0 CFABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(O)cc1)C2 ZINC000409197625 261147877 /nfs/dbraw/zinc/14/78/77/261147877.db2.gz KRIHIVOQCQGAHK-UHFFFAOYSA-N 1 2 296.370 2.963 40 0 CFABLO COc1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000329051951 525527057 /nfs/dbraw/zinc/52/70/57/525527057.db2.gz VAMQCEMHRCTMEJ-UHFFFAOYSA-N 1 2 296.374 2.622 40 0 CFABLO COc1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000329051951 525527070 /nfs/dbraw/zinc/52/70/70/525527070.db2.gz VAMQCEMHRCTMEJ-UHFFFAOYSA-N 1 2 296.374 2.622 40 0 CFABLO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c2c(O)cccc12 ZINC000685938507 545575554 /nfs/dbraw/zinc/57/55/54/545575554.db2.gz WEWUHPLPGOUVOP-TXEJJXNPSA-N 1 2 272.348 2.862 40 0 CFABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533640 185005992 /nfs/dbraw/zinc/00/59/92/185005992.db2.gz RZBAHBOEMJGCNS-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO COc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1 ZINC000095533746 185006696 /nfs/dbraw/zinc/00/66/96/185006696.db2.gz OHABHNMPXUHRBQ-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1 ZINC000095534100 185007441 /nfs/dbraw/zinc/00/74/41/185007441.db2.gz IHVUDUNEMKBGCA-AWEZNQCLSA-N 1 2 280.331 2.534 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1 ZINC000095534100 185007443 /nfs/dbraw/zinc/00/74/43/185007443.db2.gz IHVUDUNEMKBGCA-AWEZNQCLSA-N 1 2 280.331 2.534 40 0 CFABLO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060361 185081506 /nfs/dbraw/zinc/08/15/06/185081506.db2.gz SCZFJRLHUVZBMH-GFCCVEGCSA-N 1 2 291.420 2.536 40 0 CFABLO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060361 185081507 /nfs/dbraw/zinc/08/15/07/185081507.db2.gz SCZFJRLHUVZBMH-GFCCVEGCSA-N 1 2 291.420 2.536 40 0 CFABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)co1 ZINC000585103299 348734386 /nfs/dbraw/zinc/73/43/86/348734386.db2.gz UFLZULQRUNFJHZ-INIZCTEOSA-N 1 2 291.391 2.687 40 0 CFABLO C[NH+](C)c1ccc(-n2cccc2C=C2NC(=O)NC2=O)cc1 ZINC000027843125 539993909 /nfs/dbraw/zinc/99/39/09/539993909.db2.gz NTFVELUNYXKWAP-GXDHUFHOSA-N 1 2 296.330 2.564 40 0 CFABLO CCNc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000328969486 202136320 /nfs/dbraw/zinc/13/63/20/202136320.db2.gz DERBSRZULNRNJS-UHFFFAOYSA-N 1 2 272.327 2.512 40 0 CFABLO CNc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329035930 202162440 /nfs/dbraw/zinc/16/24/40/202162440.db2.gz RGQCWJRCAYIPIA-UHFFFAOYSA-N 1 2 292.745 2.776 40 0 CFABLO CC(C)(C)SCCNC(=S)Nc1cc[nH+]cc1 ZINC000225352871 189747971 /nfs/dbraw/zinc/74/79/71/189747971.db2.gz NQTQGRJDIVSOEE-UHFFFAOYSA-N 1 2 269.439 2.900 40 0 CFABLO Cc1cc2[nH+]cn(CCC(=O)NC(C)(C)C)c2cc1C ZINC000000412091 371608098 /nfs/dbraw/zinc/60/80/98/371608098.db2.gz VHJUVJZGDOREBR-UHFFFAOYSA-N 1 2 273.380 2.958 40 0 CFABLO Cc1cccc(C)c1NC(=O)CNc1cccc[nH+]1 ZINC000001684131 371697237 /nfs/dbraw/zinc/69/72/37/371697237.db2.gz UHBQWRBSHBWCSL-UHFFFAOYSA-N 1 2 255.321 2.749 40 0 CFABLO C=Cn1ncc(C[N@H+](C)Cc2nc3ccccc3[nH]2)c1C ZINC000012143626 371945140 /nfs/dbraw/zinc/94/51/40/371945140.db2.gz UDYDEEMVXCZKIL-UHFFFAOYSA-N 1 2 281.363 2.800 40 0 CFABLO C=Cn1ncc(C[N@@H+](C)Cc2nc3ccccc3[nH]2)c1C ZINC000012143626 371945144 /nfs/dbraw/zinc/94/51/44/371945144.db2.gz UDYDEEMVXCZKIL-UHFFFAOYSA-N 1 2 281.363 2.800 40 0 CFABLO CCOC(=O)N1CCC([NH2+]c2ccc(N)cc2C)CC1 ZINC000036950146 372614666 /nfs/dbraw/zinc/61/46/66/372614666.db2.gz YFHPCMFNFPOPDJ-UHFFFAOYSA-N 1 2 277.368 2.610 40 0 CFABLO Fc1cc(Br)ccc1Cn1cc[nH+]c1 ZINC000042228495 372889036 /nfs/dbraw/zinc/88/90/36/372889036.db2.gz QGPWJXASMXBBMC-UHFFFAOYSA-N 1 2 255.090 2.833 40 0 CFABLO Fc1ccc(Br)c(Cn2cc[nH+]c2)c1 ZINC000069700580 374087626 /nfs/dbraw/zinc/08/76/26/374087626.db2.gz TXOVKEIYBSHLFR-UHFFFAOYSA-N 1 2 255.090 2.833 40 0 CFABLO COCc1cncc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000096189270 375475598 /nfs/dbraw/zinc/47/55/98/375475598.db2.gz XWAMTPURBMRLRL-UHFFFAOYSA-N 1 2 274.389 2.848 40 0 CFABLO COCc1cncc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000096189270 375475603 /nfs/dbraw/zinc/47/56/03/375475603.db2.gz XWAMTPURBMRLRL-UHFFFAOYSA-N 1 2 274.389 2.848 40 0 CFABLO CC(C)Cn1ccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000256054165 190004923 /nfs/dbraw/zinc/00/49/23/190004923.db2.gz VEFCYVCGYJBFDV-UHFFFAOYSA-N 1 2 259.353 2.535 40 0 CFABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256051694 190003482 /nfs/dbraw/zinc/00/34/82/190003482.db2.gz KEJYCJMUVMVUKQ-UHFFFAOYSA-N 1 2 297.353 2.524 40 0 CFABLO Cc1c(C[NH2+]Cc2ccn(C(C)C)n2)cnn1C(C)C ZINC000256052052 190003979 /nfs/dbraw/zinc/00/39/79/190003979.db2.gz LSRIPKIHDRSXFQ-UHFFFAOYSA-N 1 2 275.400 2.840 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccccc2F)[nH+]1 ZINC000257226840 190015330 /nfs/dbraw/zinc/01/53/30/190015330.db2.gz FMKJGNONOFZAII-AWEZNQCLSA-N 1 2 287.338 2.763 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc(C)c3)C2)[nH+]1 ZINC000257225544 190015755 /nfs/dbraw/zinc/01/57/55/190015755.db2.gz FGRMZDNLSFVDEA-AWEZNQCLSA-N 1 2 269.348 2.656 40 0 CFABLO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257229093 190015931 /nfs/dbraw/zinc/01/59/31/190015931.db2.gz FWQPSBJLDWSOBZ-ZDUSSCGKSA-N 1 2 288.420 2.941 40 0 CFABLO CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257229093 190015932 /nfs/dbraw/zinc/01/59/32/190015932.db2.gz FWQPSBJLDWSOBZ-ZDUSSCGKSA-N 1 2 288.420 2.941 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257221188 190014425 /nfs/dbraw/zinc/01/44/25/190014425.db2.gz DNWOUAWUZRSXPT-GFCCVEGCSA-N 1 2 275.377 2.686 40 0 CFABLO COc1ccc(C[C@@H]2C[N@H+](Cc3ccccn3)CCO2)cc1 ZINC000257254652 190020893 /nfs/dbraw/zinc/02/08/93/190020893.db2.gz KECSFFGJTDSDQB-GOSISDBHSA-N 1 2 298.386 2.534 40 0 CFABLO COc1ccc(C[C@@H]2C[N@@H+](Cc3ccccn3)CCO2)cc1 ZINC000257254652 190020894 /nfs/dbraw/zinc/02/08/94/190020894.db2.gz KECSFFGJTDSDQB-GOSISDBHSA-N 1 2 298.386 2.534 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccs2)[nH+]1 ZINC000257266257 190023346 /nfs/dbraw/zinc/02/33/46/190023346.db2.gz MCEXRKFBZZRMJC-SNVBAGLBSA-N 1 2 261.350 2.757 40 0 CFABLO CCn1nc(C)c(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1C ZINC000257263608 190022784 /nfs/dbraw/zinc/02/27/84/190022784.db2.gz LQSMFADRFXCTDL-INIZCTEOSA-N 1 2 287.411 2.970 40 0 CFABLO CCn1nc(C)c(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1C ZINC000257263608 190022785 /nfs/dbraw/zinc/02/27/85/190022785.db2.gz LQSMFADRFXCTDL-INIZCTEOSA-N 1 2 287.411 2.970 40 0 CFABLO CNc1cc(C)nc([C@]2(C)CCC[N@@H+]2Cc2cccnc2)n1 ZINC000257282030 190026150 /nfs/dbraw/zinc/02/61/50/190026150.db2.gz ORZVIKKEDVAUGT-KRWDZBQOSA-N 1 2 297.406 2.733 40 0 CFABLO CNc1cc(C)nc([C@]2(C)CCC[N@H+]2Cc2cccnc2)n1 ZINC000257282030 190026151 /nfs/dbraw/zinc/02/61/51/190026151.db2.gz ORZVIKKEDVAUGT-KRWDZBQOSA-N 1 2 297.406 2.733 40 0 CFABLO CC(=O)N1CC[C@@H](Cc2cccc(NC3CCCC3)[nH+]2)C1 ZINC000257290641 190027714 /nfs/dbraw/zinc/02/77/14/190027714.db2.gz QDTRKSMVSRREIV-AWEZNQCLSA-N 1 2 287.407 2.847 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257294135 190028119 /nfs/dbraw/zinc/02/81/19/190028119.db2.gz QSRKKLRNFFKGGS-CYBMUJFWSA-N 1 2 289.404 2.696 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257293137 190028546 /nfs/dbraw/zinc/02/85/46/190028546.db2.gz QOHIWNXVQCPLSH-GFCCVEGCSA-N 1 2 275.377 2.767 40 0 CFABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257301714 190030198 /nfs/dbraw/zinc/03/01/98/190030198.db2.gz RZPLYBLDUHWAKM-HNNXBMFYSA-N 1 2 281.359 2.767 40 0 CFABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257301715 190030781 /nfs/dbraw/zinc/03/07/81/190030781.db2.gz RZPLYBLDUHWAKM-OAHLLOKOSA-N 1 2 281.359 2.767 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cnc(C)cn3)C2)s1 ZINC000257319691 190033501 /nfs/dbraw/zinc/03/35/01/190033501.db2.gz VTPRTZXEYNUWCJ-OAHLLOKOSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cnc(C)cn3)C2)s1 ZINC000257319691 190033502 /nfs/dbraw/zinc/03/35/02/190033502.db2.gz VTPRTZXEYNUWCJ-OAHLLOKOSA-N 1 2 289.404 2.728 40 0 CFABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C)cn1 ZINC000257325740 190034146 /nfs/dbraw/zinc/03/41/46/190034146.db2.gz WUFMWWIJPMHMQZ-AWEZNQCLSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2n[nH]cc2C)cn1 ZINC000257325740 190034147 /nfs/dbraw/zinc/03/41/47/190034147.db2.gz WUFMWWIJPMHMQZ-AWEZNQCLSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2C)cn1 ZINC000257325740 190034148 /nfs/dbraw/zinc/03/41/48/190034148.db2.gz WUFMWWIJPMHMQZ-AWEZNQCLSA-N 1 2 273.384 2.662 40 0 CFABLO CCn1cc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2C)cn1 ZINC000257325740 190034149 /nfs/dbraw/zinc/03/41/49/190034149.db2.gz WUFMWWIJPMHMQZ-AWEZNQCLSA-N 1 2 273.384 2.662 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257334839 190036659 /nfs/dbraw/zinc/03/66/59/190036659.db2.gz YHOAMAQVUIZWSU-HNNXBMFYSA-N 1 2 272.327 2.656 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257334839 190036660 /nfs/dbraw/zinc/03/66/60/190036660.db2.gz YHOAMAQVUIZWSU-HNNXBMFYSA-N 1 2 272.327 2.656 40 0 CFABLO CCOC(=[NH2+])c1cccc(I)c1 ZINC000143864558 378246010 /nfs/dbraw/zinc/24/60/10/378246010.db2.gz LESXKAOBWPNYQT-UHFFFAOYSA-N 1 2 275.089 2.653 40 0 CFABLO Cc1cc(N2CCC[C@H](c3cccc4[nH+]ccn43)C2)ncn1 ZINC000257305161 383494591 /nfs/dbraw/zinc/49/45/91/383494591.db2.gz SORTVYCLNWBCRX-AWEZNQCLSA-N 1 2 293.374 2.817 40 0 CFABLO Cc1cn2c(cccc2C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000257310880 383495106 /nfs/dbraw/zinc/49/51/06/383495106.db2.gz UHADZVNPUVNWKR-UHFFFAOYSA-N 1 2 293.374 2.817 40 0 CFABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(C)C ZINC000257319620 383495173 /nfs/dbraw/zinc/49/51/73/383495173.db2.gz VTHOWSHVFZVVBN-CQSZACIVSA-N 1 2 271.364 2.857 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)c1 ZINC000095533603 256745285 /nfs/dbraw/zinc/74/52/85/256745285.db2.gz GNTZIOYBMJLHOF-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COC(=O)COc1cc(C)[nH+]c2cc(Cl)c(OC)cc21 ZINC000064874622 393629705 /nfs/dbraw/zinc/62/97/05/393629705.db2.gz OSMYVOSGROUZNK-UHFFFAOYSA-N 1 2 295.722 2.757 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216095 393645177 /nfs/dbraw/zinc/64/51/77/393645177.db2.gz BNPDJTCJVIBELC-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO Cc1cc(N2CCC(c3ccncc3)CC2)nc[nH+]1 ZINC000072385493 393650452 /nfs/dbraw/zinc/65/04/52/393650452.db2.gz DXKXNNMOWAONMQ-UHFFFAOYSA-N 1 2 254.337 2.564 40 0 CFABLO CCOC(=O)[C@@H]1CC=C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000396174526 397555032 /nfs/dbraw/zinc/55/50/32/397555032.db2.gz GNKZPXOJKHIUEM-ZFWWWQNUSA-N 1 2 259.349 2.769 40 0 CFABLO CCOC(=O)[C@@H]1CC=C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000396174526 397555035 /nfs/dbraw/zinc/55/50/35/397555035.db2.gz GNKZPXOJKHIUEM-ZFWWWQNUSA-N 1 2 259.349 2.769 40 0 CFABLO Cn1c2ccccc2[nH+]c1C[C@@H](CCO)C(F)(F)F ZINC000575424512 397584254 /nfs/dbraw/zinc/58/42/54/397584254.db2.gz MCBPADSIGLBFJQ-SECBINFHSA-N 1 2 272.270 2.677 40 0 CFABLO c1ccc2c(c1)[nH+]c(N1CCOCC1)nc2NC1CCCC1 ZINC000005001023 170053522 /nfs/dbraw/zinc/05/35/22/170053522.db2.gz IIBXMPYABGCZFT-UHFFFAOYSA-N 1 2 298.390 2.821 40 0 CFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1F ZINC000020487980 171226173 /nfs/dbraw/zinc/22/61/73/171226173.db2.gz YLKHMTHQVFOAEZ-UHFFFAOYSA-N 1 2 295.317 2.941 40 0 CFABLO CC[C@@H]1c2cccn2CCN1Cc1c[nH+]cn1CC ZINC000072389653 176393893 /nfs/dbraw/zinc/39/38/93/176393893.db2.gz QNJHCUIGMOKYLM-CQSZACIVSA-N 1 2 258.369 2.671 40 0 CFABLO Cc1cc2[nH+]cn(Cc3noc([C@H]4CCCO4)n3)c2cc1C ZINC000076555349 177037722 /nfs/dbraw/zinc/03/77/22/177037722.db2.gz ZKPNVNMEUPFSBS-CQSZACIVSA-N 1 2 298.346 2.936 40 0 CFABLO Cc1cc2[nH+]cn(Cc3noc([C@@H]4CCCO4)n3)c2cc1C ZINC000076555347 177037751 /nfs/dbraw/zinc/03/77/51/177037751.db2.gz ZKPNVNMEUPFSBS-AWEZNQCLSA-N 1 2 298.346 2.936 40 0 CFABLO COc1cc2cc(-c3ccccn3)[nH+]c(N)c2cc1OC ZINC000013220555 277395310 /nfs/dbraw/zinc/39/53/10/277395310.db2.gz UNQLRETWAQYHAR-UHFFFAOYSA-N 1 2 281.315 2.896 40 0 CFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533249 185005884 /nfs/dbraw/zinc/00/58/84/185005884.db2.gz DCSZZGCYRWSQAG-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533249 185005885 /nfs/dbraw/zinc/00/58/85/185005885.db2.gz DCSZZGCYRWSQAG-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO Cc1ccccc1-c1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533309 185006487 /nfs/dbraw/zinc/00/64/87/185006487.db2.gz YOGSIVLVMACFFZ-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO Cc1ccccc1-c1n[nH]c([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533309 185006489 /nfs/dbraw/zinc/00/64/89/185006489.db2.gz YOGSIVLVMACFFZ-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1 ZINC000095533747 185007560 /nfs/dbraw/zinc/00/75/60/185007560.db2.gz OHABHNMPXUHRBQ-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1 ZINC000095534098 185007669 /nfs/dbraw/zinc/00/76/69/185007669.db2.gz VGEFKHMSJDKHPR-AWEZNQCLSA-N 1 2 280.331 2.534 40 0 CFABLO C[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111551 348734290 /nfs/dbraw/zinc/73/42/90/348734290.db2.gz VUULPUCVJAMPGJ-HIFRSBDPSA-N 1 2 295.386 2.591 40 0 CFABLO Cc1nc(Cl)c2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000091297027 180124720 /nfs/dbraw/zinc/12/47/20/180124720.db2.gz GEXUISQJUDFACP-UHFFFAOYSA-N 1 2 273.767 2.997 40 0 CFABLO Cc1nc(Cl)c2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC000091297027 180124722 /nfs/dbraw/zinc/12/47/22/180124722.db2.gz GEXUISQJUDFACP-UHFFFAOYSA-N 1 2 273.767 2.997 40 0 CFABLO OC(C[NH2+]Cc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000604221816 351202483 /nfs/dbraw/zinc/20/24/83/351202483.db2.gz PGNOKJOJLJFJOM-UHFFFAOYSA-N 1 2 287.203 2.632 40 0 CFABLO Cc1cccc(CNC(=S)Nc2cc[nH+]cc2)c1 ZINC000137858251 187901859 /nfs/dbraw/zinc/90/18/59/187901859.db2.gz QDLOTQVBDLUOPK-UHFFFAOYSA-N 1 2 257.362 2.877 40 0 CFABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000329034788 202162231 /nfs/dbraw/zinc/16/22/31/202162231.db2.gz QZXWPLTVUGSSLY-UHFFFAOYSA-N 1 2 297.406 2.557 40 0 CFABLO O[C@](Cn1cc[nH+]c1)(c1ccccn1)C1CCCCC1 ZINC000018191430 372142730 /nfs/dbraw/zinc/14/27/30/372142730.db2.gz MNZVCHOVMJMPNG-INIZCTEOSA-N 1 2 271.364 2.746 40 0 CFABLO CC[NH+](CC)[C@H]1COc2ccc(Br)cc2C1=O ZINC000055116637 373542060 /nfs/dbraw/zinc/54/20/60/373542060.db2.gz SPHKGFPKVLJEJA-NSHDSACASA-N 1 2 298.180 2.735 40 0 CFABLO CC(C)[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096222076 375479501 /nfs/dbraw/zinc/47/95/01/375479501.db2.gz OIVHEWUCAQBWQM-JSGCOSHPSA-N 1 2 281.425 2.565 40 0 CFABLO CC(C)[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096222076 375479506 /nfs/dbraw/zinc/47/95/06/375479506.db2.gz OIVHEWUCAQBWQM-JSGCOSHPSA-N 1 2 281.425 2.565 40 0 CFABLO Cn1nc(C[NH2+]Cc2cccc(F)c2)cc1C(F)(F)F ZINC000256050501 190002829 /nfs/dbraw/zinc/00/28/29/190002829.db2.gz FGNLWYFOAYOXAC-UHFFFAOYSA-N 1 2 287.260 2.868 40 0 CFABLO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2nccs2)ccn1 ZINC000257229092 190016002 /nfs/dbraw/zinc/01/60/02/190016002.db2.gz FWQPSBJLDWSOBZ-CYBMUJFWSA-N 1 2 288.420 2.941 40 0 CFABLO CN(C)c1cc([C@H]2CCC[N@H+]2Cc2nccs2)ccn1 ZINC000257229092 190016003 /nfs/dbraw/zinc/01/60/03/190016003.db2.gz FWQPSBJLDWSOBZ-CYBMUJFWSA-N 1 2 288.420 2.941 40 0 CFABLO CC(=O)N1CCC[C@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257239038 190018053 /nfs/dbraw/zinc/01/80/53/190018053.db2.gz HNQSOEUQDGIUBH-AWEZNQCLSA-N 1 2 298.390 2.516 40 0 CFABLO CC(C)[NH+]1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000257242756 190018892 /nfs/dbraw/zinc/01/88/92/190018892.db2.gz IDZMKJNEWKKRDD-UHFFFAOYSA-N 1 2 298.394 2.598 40 0 CFABLO O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@@]12CCCO2 ZINC000257250762 190020260 /nfs/dbraw/zinc/02/02/60/190020260.db2.gz JNXBAAHBJXUFCX-GJZGRUSLSA-N 1 2 299.773 2.595 40 0 CFABLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@@]12CCCO2 ZINC000257250762 190020261 /nfs/dbraw/zinc/02/02/61/190020261.db2.gz JNXBAAHBJXUFCX-GJZGRUSLSA-N 1 2 299.773 2.595 40 0 CFABLO CNc1cc([C@H]2CCCN2c2cc(C)ncn2)cc[nH+]1 ZINC000257261534 190022629 /nfs/dbraw/zinc/02/26/29/190022629.db2.gz LHTGDEGFSOABIG-CYBMUJFWSA-N 1 2 269.352 2.563 40 0 CFABLO c1cc([C@@H]2CCC[N@H+]2Cc2cnc3ccccc3n2)n[nH]1 ZINC000257260780 190022766 /nfs/dbraw/zinc/02/27/66/190022766.db2.gz LEHSEWAUSROMAA-INIZCTEOSA-N 1 2 279.347 2.690 40 0 CFABLO c1cc([C@@H]2CCC[N@@H+]2Cc2cnc3ccccc3n2)n[nH]1 ZINC000257260780 190022767 /nfs/dbraw/zinc/02/27/67/190022767.db2.gz LEHSEWAUSROMAA-INIZCTEOSA-N 1 2 279.347 2.690 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000257282614 190026592 /nfs/dbraw/zinc/02/65/92/190026592.db2.gz OUMOYNQVSHTDHX-CYBMUJFWSA-N 1 2 273.384 2.567 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000257282614 190026593 /nfs/dbraw/zinc/02/65/93/190026593.db2.gz OUMOYNQVSHTDHX-CYBMUJFWSA-N 1 2 273.384 2.567 40 0 CFABLO c1cc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257287947 190026825 /nfs/dbraw/zinc/02/68/25/190026825.db2.gz PSDSMKOVEHPFMW-CQSZACIVSA-N 1 2 278.359 2.947 40 0 CFABLO c1cc([C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257287947 190026826 /nfs/dbraw/zinc/02/68/26/190026826.db2.gz PSDSMKOVEHPFMW-CQSZACIVSA-N 1 2 278.359 2.947 40 0 CFABLO C[N@@H+]1CCCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000257289461 190027589 /nfs/dbraw/zinc/02/75/89/190027589.db2.gz PYTAPVBBRBPMAK-NSHDSACASA-N 1 2 275.381 2.834 40 0 CFABLO C[N@H+]1CCCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000257289461 190027590 /nfs/dbraw/zinc/02/75/90/190027590.db2.gz PYTAPVBBRBPMAK-NSHDSACASA-N 1 2 275.381 2.834 40 0 CFABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257274211 190024495 /nfs/dbraw/zinc/02/44/95/190024495.db2.gz NJZMWDNFJHTKLG-GFCCVEGCSA-N 1 2 260.366 2.579 40 0 CFABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257274211 190024496 /nfs/dbraw/zinc/02/44/96/190024496.db2.gz NJZMWDNFJHTKLG-GFCCVEGCSA-N 1 2 260.366 2.579 40 0 CFABLO CC(C)C(=O)N1CCC[C@@H]1c1ccnc(-c2c[nH+]cn2C)c1 ZINC000257275971 190025089 /nfs/dbraw/zinc/02/50/89/190025089.db2.gz NRURJGXWEBWIQB-OAHLLOKOSA-N 1 2 298.390 2.802 40 0 CFABLO CN(C)c1cc([C@H]2CCCN(C(=O)CC3CC3)C2)cc[nH+]1 ZINC000257309150 190031134 /nfs/dbraw/zinc/03/11/34/190031134.db2.gz TZTXJPJLUBUTKZ-HNNXBMFYSA-N 1 2 287.407 2.654 40 0 CFABLO Cc1ccsc1C[N@@H+]1CCO[C@@H](c2cnc(C)cn2)C1 ZINC000257326203 190034117 /nfs/dbraw/zinc/03/41/17/190034117.db2.gz WWGFZYIOLDSVJX-CQSZACIVSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1ccsc1C[N@H+]1CCO[C@@H](c2cnc(C)cn2)C1 ZINC000257326203 190034118 /nfs/dbraw/zinc/03/41/18/190034118.db2.gz WWGFZYIOLDSVJX-CQSZACIVSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000257324098 190034238 /nfs/dbraw/zinc/03/42/38/190034238.db2.gz WNEDPWHQFIYBMP-AWEZNQCLSA-N 1 2 297.406 2.765 40 0 CFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000257324098 190034239 /nfs/dbraw/zinc/03/42/39/190034239.db2.gz WNEDPWHQFIYBMP-AWEZNQCLSA-N 1 2 297.406 2.765 40 0 CFABLO COc1ccc(C[N@@H+]2CC[C@H](c3n[nH]cc3C)C2)c(F)c1 ZINC000257322925 190034327 /nfs/dbraw/zinc/03/43/27/190034327.db2.gz WIAPEAJTZDDNFN-ZDUSSCGKSA-N 1 2 289.354 2.855 40 0 CFABLO COc1ccc(C[N@H+]2CC[C@H](c3n[nH]cc3C)C2)c(F)c1 ZINC000257322925 190034328 /nfs/dbraw/zinc/03/43/28/190034328.db2.gz WIAPEAJTZDDNFN-ZDUSSCGKSA-N 1 2 289.354 2.855 40 0 CFABLO Fc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1F ZINC000225521131 382817849 /nfs/dbraw/zinc/81/78/49/382817849.db2.gz HURWXJNSLBKOJC-UHFFFAOYSA-N 1 2 296.346 2.538 40 0 CFABLO Cc1ccc(-n2cccc2C[NH+]2CCOCC2)cc1 ZINC000226033295 382824419 /nfs/dbraw/zinc/82/44/19/382824419.db2.gz IQEZWFZMTDIIEW-UHFFFAOYSA-N 1 2 256.349 2.618 40 0 CFABLO CCOCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000253382116 383453752 /nfs/dbraw/zinc/45/37/52/383453752.db2.gz HACICHKSYLGLEW-OAHLLOKOSA-N 1 2 293.382 2.843 40 0 CFABLO CN(C(=O)C1CCCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221665 383492869 /nfs/dbraw/zinc/49/28/69/383492869.db2.gz DQAPWYVHBOSZOO-HNNXBMFYSA-N 1 2 287.407 2.699 40 0 CFABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213930 256712690 /nfs/dbraw/zinc/71/26/90/256712690.db2.gz GVDHLFYRPOCXBV-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO CCOC(=O)c1c[nH+]c2cc(F)ccc2c1N(C)C ZINC000064874557 393629870 /nfs/dbraw/zinc/62/98/70/393629870.db2.gz SBKCXQSXLSFTKB-UHFFFAOYSA-N 1 2 262.284 2.617 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NCC(C)C ZINC000072213248 393643964 /nfs/dbraw/zinc/64/39/64/393643964.db2.gz QBBMTVALNNYHEP-CQSZACIVSA-N 1 2 261.369 2.833 40 0 CFABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C=O ZINC000072213449 393644058 /nfs/dbraw/zinc/64/40/58/393644058.db2.gz QYYPCQYRCBISAK-OCCSQVGLSA-N 1 2 261.369 2.975 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216096 393644847 /nfs/dbraw/zinc/64/48/47/393644847.db2.gz BNPDJTCJVIBELC-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO CCN(C)c1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225234 393647691 /nfs/dbraw/zinc/64/76/91/393647691.db2.gz LYKWFNOAJPBVNN-UHFFFAOYSA-N 1 2 265.357 2.562 40 0 CFABLO CC(C)Nc1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225060 393647721 /nfs/dbraw/zinc/64/77/21/393647721.db2.gz PTOZGHAGXGIFTA-UHFFFAOYSA-N 1 2 265.357 2.927 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)c1 ZINC000095533604 393813161 /nfs/dbraw/zinc/81/31/61/393813161.db2.gz ZVNDSHXIPNTYBC-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO COc1cccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)c1 ZINC000095533604 393813165 /nfs/dbraw/zinc/81/31/65/393813165.db2.gz ZVNDSHXIPNTYBC-AWEZNQCLSA-N 1 2 298.321 2.668 40 0 CFABLO C[C@H](OCc1ccccc1)[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000045331585 397574066 /nfs/dbraw/zinc/57/40/66/397574066.db2.gz JFGFSGAITLXWHG-YOEHRIQHSA-N 1 2 299.370 2.662 40 0 CFABLO CC(=O)[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000005883602 170149978 /nfs/dbraw/zinc/14/99/78/170149978.db2.gz PBOOWWQMFZHFGD-SFHVURJKSA-N 1 2 283.371 2.811 40 0 CFABLO CC(=O)[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000005883602 170149980 /nfs/dbraw/zinc/14/99/80/170149980.db2.gz PBOOWWQMFZHFGD-SFHVURJKSA-N 1 2 283.371 2.811 40 0 CFABLO CNc1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000072363882 176378425 /nfs/dbraw/zinc/37/84/25/176378425.db2.gz STKMWSIDXJELLU-AWEZNQCLSA-N 1 2 296.374 2.538 40 0 CFABLO c1ccc(C[N@H+](Cc2ccccn2)CC2=COCCO2)cc1 ZINC000072398438 176396351 /nfs/dbraw/zinc/39/63/51/176396351.db2.gz IMJJEWMALAATSV-UHFFFAOYSA-N 1 2 296.370 2.972 40 0 CFABLO c1ccc(C[N@@H+](Cc2ccccn2)CC2=COCCO2)cc1 ZINC000072398438 176396352 /nfs/dbraw/zinc/39/63/52/176396352.db2.gz IMJJEWMALAATSV-UHFFFAOYSA-N 1 2 296.370 2.972 40 0 CFABLO CCO[C@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253599629 276486528 /nfs/dbraw/zinc/48/65/28/276486528.db2.gz RVIRLEAIEOHGDO-ZDUSSCGKSA-N 1 2 281.421 2.826 40 0 CFABLO COc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000155521131 330685359 /nfs/dbraw/zinc/68/53/59/330685359.db2.gz URDPCYBLJLQRSX-UHFFFAOYSA-N 1 2 282.343 2.650 40 0 CFABLO CCOC(=O)CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083291695 333208228 /nfs/dbraw/zinc/20/82/28/333208228.db2.gz WMPAVPNJKNCHQH-HNNXBMFYSA-N 1 2 289.375 2.563 40 0 CFABLO CCOC(=O)CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000083291695 333208230 /nfs/dbraw/zinc/20/82/30/333208230.db2.gz WMPAVPNJKNCHQH-HNNXBMFYSA-N 1 2 289.375 2.563 40 0 CFABLO [NH3+][C@H](c1nnc(-c2ccncc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533928 185005939 /nfs/dbraw/zinc/00/59/39/185005939.db2.gz HVCZUFQFIUSUON-LBPRGKRZSA-N 1 2 285.738 2.568 40 0 CFABLO [NH3+][C@H](c1n[nH]c(-c2ccncc2)n1)c1ccc(Cl)cc1 ZINC000095533928 185005940 /nfs/dbraw/zinc/00/59/40/185005940.db2.gz HVCZUFQFIUSUON-LBPRGKRZSA-N 1 2 285.738 2.568 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)c1 ZINC000095533499 185007492 /nfs/dbraw/zinc/00/74/92/185007492.db2.gz BFXFFNKBRXXJQW-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000095533499 185007493 /nfs/dbraw/zinc/00/74/93/185007493.db2.gz BFXFFNKBRXXJQW-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO Cc1[nH+]ccn1-c1ncc(-c2nc3ccccc3o2)cn1 ZINC000005530422 282200241 /nfs/dbraw/zinc/20/02/41/282200241.db2.gz DWWFZEXNDAPWTM-UHFFFAOYSA-N 1 2 277.287 2.779 40 0 CFABLO CCc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000010370383 346227482 /nfs/dbraw/zinc/22/74/82/346227482.db2.gz XEDAHBRSEAXGKF-UHFFFAOYSA-N 1 2 285.391 2.585 40 0 CFABLO CC(C)C(=O)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccc2Cl)C1 ZINC000107249312 186164493 /nfs/dbraw/zinc/16/44/93/186164493.db2.gz RERNFYCIMYFUNB-HIFRSBDPSA-N 1 2 292.810 2.639 40 0 CFABLO CC(C)C(=O)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccc2Cl)C1 ZINC000107249312 186164495 /nfs/dbraw/zinc/16/44/95/186164495.db2.gz RERNFYCIMYFUNB-HIFRSBDPSA-N 1 2 292.810 2.639 40 0 CFABLO OC(C[NH2+]C1CCCCC1)(C(F)(F)F)C(F)(F)F ZINC000604221787 351202285 /nfs/dbraw/zinc/20/22/85/351202285.db2.gz AXFPQTAPMKHYHG-UHFFFAOYSA-N 1 2 279.224 2.764 40 0 CFABLO CNc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328958470 202131644 /nfs/dbraw/zinc/13/16/44/202131644.db2.gz APAFDPYJIQBIEZ-UHFFFAOYSA-N 1 2 294.333 2.912 40 0 CFABLO CNc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328978315 202137257 /nfs/dbraw/zinc/13/72/57/202137257.db2.gz FXMVCBIQTIJOII-UHFFFAOYSA-N 1 2 292.745 2.776 40 0 CFABLO CCNc1cc(-c2cccnc2)[nH+]c(NC2CCCCC2)n1 ZINC000329018322 202153826 /nfs/dbraw/zinc/15/38/26/202153826.db2.gz NPESIAFFLREYJO-UHFFFAOYSA-N 1 2 297.406 2.559 40 0 CFABLO COC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000012397999 371960652 /nfs/dbraw/zinc/96/06/52/371960652.db2.gz HUASDZHTZUTIIK-GFCCVEGCSA-N 1 2 253.729 2.650 40 0 CFABLO COC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000012397999 371960657 /nfs/dbraw/zinc/96/06/57/371960657.db2.gz HUASDZHTZUTIIK-GFCCVEGCSA-N 1 2 253.729 2.650 40 0 CFABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccncc1 ZINC000019286694 372154534 /nfs/dbraw/zinc/15/45/34/372154534.db2.gz ANBCATIRFVHPIL-LBPRGKRZSA-N 1 2 294.358 2.617 40 0 CFABLO Cc1c2cccc(F)c2oc1C(=O)NCc1[nH+]ccn1C ZINC000019565824 372173308 /nfs/dbraw/zinc/17/33/08/372173308.db2.gz UDZQVHGVJLUQEV-UHFFFAOYSA-N 1 2 287.294 2.544 40 0 CFABLO COc1cccc(Nc2cc(N)nc(C3CC3)[nH+]2)c1 ZINC000049467622 373298807 /nfs/dbraw/zinc/29/88/07/373298807.db2.gz VLFJMNWMPDNMQY-UHFFFAOYSA-N 1 2 256.309 2.688 40 0 CFABLO C[NH+](C)/C=C/c1cc2c(cn1)C(=O)c1ccccc1-2 ZINC000049946761 373332274 /nfs/dbraw/zinc/33/22/74/373332274.db2.gz RUHZYPIGRPGFPH-BQYQJAHWSA-N 1 2 250.301 2.825 40 0 CFABLO O=C(CCc1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000054455355 373524066 /nfs/dbraw/zinc/52/40/66/373524066.db2.gz OPQPASSTUYUIQH-UHFFFAOYSA-N 1 2 291.782 2.676 40 0 CFABLO Cc1cc(C)nc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364087 374246453 /nfs/dbraw/zinc/24/64/53/374246453.db2.gz TVUXFSPIVOHUFU-AWEZNQCLSA-N 1 2 283.379 2.576 40 0 CFABLO CNc1cc(C)[nH+]c(N2CCCc3ccccc32)n1 ZINC000074934160 374447947 /nfs/dbraw/zinc/44/79/47/374447947.db2.gz HNQPLQCZTGQHLH-UHFFFAOYSA-N 1 2 254.337 2.911 40 0 CFABLO Cc1nc([C@@H]2COCC[N@@H+]2C2CCCC2)cs1 ZINC000096217791 375479683 /nfs/dbraw/zinc/47/96/83/375479683.db2.gz TZWVFIWSPSRXIR-ZDUSSCGKSA-N 1 2 252.383 2.767 40 0 CFABLO Cc1nc([C@@H]2COCC[N@H+]2C2CCCC2)cs1 ZINC000096217791 375479689 /nfs/dbraw/zinc/47/96/89/375479689.db2.gz TZWVFIWSPSRXIR-ZDUSSCGKSA-N 1 2 252.383 2.767 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cnn(C(C)C)c2C)n1 ZINC000256050293 190002912 /nfs/dbraw/zinc/00/29/12/190002912.db2.gz DNHSPIOOFYFNLX-UHFFFAOYSA-N 1 2 275.400 2.669 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000256054627 190005786 /nfs/dbraw/zinc/00/57/86/190005786.db2.gz XCAYBXDWYSSWPC-UHFFFAOYSA-N 1 2 265.307 2.861 40 0 CFABLO Cc1csc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)c1 ZINC000257211268 190012324 /nfs/dbraw/zinc/01/23/24/190012324.db2.gz BYFCUBSQTJHOCE-LBPRGKRZSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1cc(CC2CCN(C(=O)c3cccnc3)CC2)cc[nH+]1 ZINC000257243035 190018500 /nfs/dbraw/zinc/01/85/00/190018500.db2.gz IFGKLBAVUITFIM-UHFFFAOYSA-N 1 2 295.386 2.880 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257284757 190026094 /nfs/dbraw/zinc/02/60/94/190026094.db2.gz PEEKKGGUBSKORB-CQSZACIVSA-N 1 2 287.411 2.642 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257284757 190026095 /nfs/dbraw/zinc/02/60/95/190026095.db2.gz PEEKKGGUBSKORB-CQSZACIVSA-N 1 2 287.411 2.642 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257294136 190028866 /nfs/dbraw/zinc/02/88/66/190028866.db2.gz QSRKKLRNFFKGGS-ZDUSSCGKSA-N 1 2 289.404 2.696 40 0 CFABLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)c[nH]2)c(C)n1 ZINC000257302511 190030270 /nfs/dbraw/zinc/03/02/70/190030270.db2.gz SDEKQFBNJWQYNT-CQSZACIVSA-N 1 2 273.384 2.580 40 0 CFABLO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(C)c[nH]2)c(C)n1 ZINC000257302511 190030271 /nfs/dbraw/zinc/03/02/71/190030271.db2.gz SDEKQFBNJWQYNT-CQSZACIVSA-N 1 2 273.384 2.580 40 0 CFABLO c1csc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000257314511 190032984 /nfs/dbraw/zinc/03/29/84/190032984.db2.gz UXHOGJBWIUVIBN-CQSZACIVSA-N 1 2 260.362 2.717 40 0 CFABLO c1csc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000257314511 190032985 /nfs/dbraw/zinc/03/29/85/190032985.db2.gz UXHOGJBWIUVIBN-CQSZACIVSA-N 1 2 260.362 2.717 40 0 CFABLO c1csc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c1 ZINC000257314510 190033065 /nfs/dbraw/zinc/03/30/65/190033065.db2.gz UXHOGJBWIUVIBN-AWEZNQCLSA-N 1 2 260.362 2.717 40 0 CFABLO c1csc(C[N@H+]2CCO[C@H](c3ccccn3)C2)c1 ZINC000257314510 190033066 /nfs/dbraw/zinc/03/30/66/190033066.db2.gz UXHOGJBWIUVIBN-AWEZNQCLSA-N 1 2 260.362 2.717 40 0 CFABLO c1cn2c(n1)C[N@@H+](CC1CCOCC1)[C@@H](c1ccccc1)C2 ZINC000257325651 190034176 /nfs/dbraw/zinc/03/41/76/190034176.db2.gz WTUPXEUYRBEFHH-QGZVFWFLSA-N 1 2 297.402 2.867 40 0 CFABLO c1cn2c(n1)C[N@H+](CC1CCOCC1)[C@@H](c1ccccc1)C2 ZINC000257325651 190034177 /nfs/dbraw/zinc/03/41/77/190034177.db2.gz WTUPXEUYRBEFHH-QGZVFWFLSA-N 1 2 297.402 2.867 40 0 CFABLO CNc1nccc([C@H]2CCCC[N@@H+]2Cc2ccoc2)n1 ZINC000257324992 190034249 /nfs/dbraw/zinc/03/42/49/190034249.db2.gz WRABNLPTNVCGOJ-CQSZACIVSA-N 1 2 272.352 2.839 40 0 CFABLO CNc1nccc([C@H]2CCCC[N@H+]2Cc2ccoc2)n1 ZINC000257324992 190034250 /nfs/dbraw/zinc/03/42/50/190034250.db2.gz WRABNLPTNVCGOJ-CQSZACIVSA-N 1 2 272.352 2.839 40 0 CFABLO CCOC(=O)C(F)(F)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000199566637 382771932 /nfs/dbraw/zinc/77/19/32/382771932.db2.gz ATTJCCOPLAVQTJ-VIFPVBQESA-N 1 2 297.223 2.904 40 0 CFABLO c1ccc(N2CCC[C@@H](Cc3cccnc3)C2)[nH+]c1 ZINC000257289081 383494431 /nfs/dbraw/zinc/49/44/31/383494431.db2.gz PWXDQXJFPQCTJT-HNNXBMFYSA-N 1 2 253.349 2.936 40 0 CFABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1CO ZINC000072224951 256704370 /nfs/dbraw/zinc/70/43/70/256704370.db2.gz DDOFEIBPFKQIEY-UHFFFAOYSA-N 1 2 254.333 2.967 40 0 CFABLO CCCCNc1[nH+]cccc1[C@@H]1CCCN1C(C)=O ZINC000072213591 393645101 /nfs/dbraw/zinc/64/51/01/393645101.db2.gz GNDGCUGZVZGTMJ-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO CC(=O)N1CCCC[C@@H]1c1c[nH+]c(N(C)C)c(C)c1 ZINC000072218655 393645160 /nfs/dbraw/zinc/64/51/60/393645160.db2.gz GIUREHDLPYTEQB-CQSZACIVSA-N 1 2 261.369 2.530 40 0 CFABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216134 393645535 /nfs/dbraw/zinc/64/55/35/393645535.db2.gz ITODBNMUQLGPMY-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO [NH3+][C@@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533276 393812553 /nfs/dbraw/zinc/81/25/53/393812553.db2.gz PNRGFYCWQKURSF-OAHLLOKOSA-N 1 2 297.337 2.604 40 0 CFABLO [NH3+][C@@H](c1nnc(CNc2ccccc2)[nH]1)c1ccc(F)cc1 ZINC000095533276 393812560 /nfs/dbraw/zinc/81/25/60/393812560.db2.gz PNRGFYCWQKURSF-OAHLLOKOSA-N 1 2 297.337 2.604 40 0 CFABLO [NH3+][C@@H](c1n[nH]c(CNc2ccccc2)n1)c1ccc(F)cc1 ZINC000095533276 393812565 /nfs/dbraw/zinc/81/25/65/393812565.db2.gz PNRGFYCWQKURSF-OAHLLOKOSA-N 1 2 297.337 2.604 40 0 CFABLO COc1ccc(Cc2[nH][nH+]c(C)c3c(C)nnc2-3)cc1 ZINC000005385921 170093646 /nfs/dbraw/zinc/09/36/46/170093646.db2.gz YRVBBKZDGKGLQB-UHFFFAOYSA-N 1 2 268.320 2.569 40 0 CFABLO COc1ccc(Cc2[nH+][nH]c(C)c3c(C)nnc2-3)cc1 ZINC000005385921 170093648 /nfs/dbraw/zinc/09/36/48/170093648.db2.gz YRVBBKZDGKGLQB-UHFFFAOYSA-N 1 2 268.320 2.569 40 0 CFABLO O[C@@](/C=C/c1ccccc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115051 171353068 /nfs/dbraw/zinc/35/30/68/171353068.db2.gz ZNBAWCRBLQBEDB-BBVFFXRHSA-N 1 2 291.354 2.879 40 0 CFABLO CCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038858957 174157766 /nfs/dbraw/zinc/15/77/66/174157766.db2.gz TZUFBDJKFVIKIH-UHFFFAOYSA-N 1 2 271.364 2.851 40 0 CFABLO O=C(C1CCC1)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378501 176386224 /nfs/dbraw/zinc/38/62/24/176386224.db2.gz IIWMKOVMBVOGKF-HNNXBMFYSA-N 1 2 296.374 2.731 40 0 CFABLO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072384961 176389024 /nfs/dbraw/zinc/38/90/24/176389024.db2.gz ZOUJGORIBRJOIA-CYBMUJFWSA-N 1 2 259.328 2.928 40 0 CFABLO Fc1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000072384961 176389025 /nfs/dbraw/zinc/38/90/25/176389025.db2.gz ZOUJGORIBRJOIA-CYBMUJFWSA-N 1 2 259.328 2.928 40 0 CFABLO CC(C)(C)OC(=O)N1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000076699039 177061646 /nfs/dbraw/zinc/06/16/46/177061646.db2.gz DHBSLPHOGHQLFE-NSHDSACASA-N 1 2 263.341 2.503 40 0 CFABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(C)C ZINC000257319619 295395598 /nfs/dbraw/zinc/39/55/98/295395598.db2.gz VTHOWSHVFZVVBN-AWEZNQCLSA-N 1 2 271.364 2.857 40 0 CFABLO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938020 545575858 /nfs/dbraw/zinc/57/58/58/545575858.db2.gz GWPWSJWLRMFANT-VXGBXAGGSA-N 1 2 271.364 2.739 40 0 CFABLO [NH3+][C@H](c1nnc(-c2ccccc2)[nH]1)c1ccc(F)cc1 ZINC000095533343 185006889 /nfs/dbraw/zinc/00/68/89/185006889.db2.gz UIAIVVILRYKQCE-ZDUSSCGKSA-N 1 2 268.295 2.659 40 0 CFABLO COC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000095738940 185024060 /nfs/dbraw/zinc/02/40/60/185024060.db2.gz BBOLQDQBCKWLMC-UHFFFAOYSA-N 1 2 285.746 2.864 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060374 185080174 /nfs/dbraw/zinc/08/01/74/185080174.db2.gz RDLGOVPOGJDMSI-ZDUSSCGKSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nn(C)cc21 ZINC000096060374 185080175 /nfs/dbraw/zinc/08/01/75/185080175.db2.gz RDLGOVPOGJDMSI-ZDUSSCGKSA-N 1 2 291.420 2.618 40 0 CFABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccccc1O)C2 ZINC000008367588 346224213 /nfs/dbraw/zinc/22/42/13/346224213.db2.gz QWWUPOITTZVZKL-UHFFFAOYSA-N 1 2 296.370 2.963 40 0 CFABLO CC(C)Nc1nc(Nc2cccc(F)c2)cc(C2CC2)[nH+]1 ZINC000328958379 202129996 /nfs/dbraw/zinc/12/99/96/202129996.db2.gz ANFXOTBGVYDAMO-UHFFFAOYSA-N 1 2 286.354 2.901 40 0 CFABLO CCNc1nc(Nc2ccc(C)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328958846 202131499 /nfs/dbraw/zinc/13/14/99/202131499.db2.gz AQBNHAWFLXLSQD-UHFFFAOYSA-N 1 2 286.354 2.821 40 0 CFABLO c1ccc(C(NC2=[NH+]CCO2)c2ccccc2)cc1 ZINC000001638856 371689823 /nfs/dbraw/zinc/68/98/23/371689823.db2.gz PKQVSBQIQNUSJC-UHFFFAOYSA-N 1 2 252.317 2.752 40 0 CFABLO O=C(NCCC[NH+]1CC1)Nc1cccc2ccccc21 ZINC000001667861 371693156 /nfs/dbraw/zinc/69/31/56/371693156.db2.gz JGIOTZKZWZLFJS-UHFFFAOYSA-N 1 2 269.348 2.667 40 0 CFABLO c1ccc2[nH]c(C[NH2+]Cc3nc4ccccc4[nH]3)nc2c1 ZINC000033807798 372499960 /nfs/dbraw/zinc/49/99/60/372499960.db2.gz HLODWGNONYOKOT-UHFFFAOYSA-N 1 2 277.331 2.729 40 0 CFABLO COc1ccc2nc3c(cc2c1)C[N@H+](C1CC1)CCO3 ZINC000072392251 374249710 /nfs/dbraw/zinc/24/97/10/374249710.db2.gz AJWANXUNWJSBKY-UHFFFAOYSA-N 1 2 270.332 2.600 40 0 CFABLO COc1ccc2nc3c(cc2c1)C[N@@H+](C1CC1)CCO3 ZINC000072392251 374249716 /nfs/dbraw/zinc/24/97/16/374249716.db2.gz AJWANXUNWJSBKY-UHFFFAOYSA-N 1 2 270.332 2.600 40 0 CFABLO Cc1nc(N2CCCC[C@@H]2c2csc(N)n2)cc[nH+]1 ZINC000072369095 374246424 /nfs/dbraw/zinc/24/64/24/374246424.db2.gz QMTPAGLNWDFDQK-LLVKDONJSA-N 1 2 275.381 2.555 40 0 CFABLO CC(C)C(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257229883 190016252 /nfs/dbraw/zinc/01/62/52/190016252.db2.gz FZVWKIRFZDXPBW-UHFFFAOYSA-N 1 2 271.364 2.696 40 0 CFABLO COc1cc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)ccc1F ZINC000257234059 190017125 /nfs/dbraw/zinc/01/71/25/190017125.db2.gz GRXHPBIRCZFQJB-GFCCVEGCSA-N 1 2 275.327 2.547 40 0 CFABLO COc1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)ccc1F ZINC000257234059 190017126 /nfs/dbraw/zinc/01/71/26/190017126.db2.gz GRXHPBIRCZFQJB-GFCCVEGCSA-N 1 2 275.327 2.547 40 0 CFABLO CNc1cc([C@@H]2CCCN2C(=O)CC2CC2)cc[nH+]1 ZINC000257282874 190026459 /nfs/dbraw/zinc/02/64/59/190026459.db2.gz OVQBHEIVZXTWNS-ZDUSSCGKSA-N 1 2 259.353 2.587 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257288805 190026900 /nfs/dbraw/zinc/02/69/00/190026900.db2.gz PVUMXZCXHCBXJS-AWEZNQCLSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccccc3C(=O)[O-])C2)[nH+]1 ZINC000257288805 190026901 /nfs/dbraw/zinc/02/69/01/190026901.db2.gz PVUMXZCXHCBXJS-AWEZNQCLSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257295531 190028306 /nfs/dbraw/zinc/02/83/06/190028306.db2.gz QYSJNBOFFJKSNU-ZDUSSCGKSA-N 1 2 289.404 2.696 40 0 CFABLO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(C)c[nH]2)c(C)n1 ZINC000257302510 190030404 /nfs/dbraw/zinc/03/04/04/190030404.db2.gz SDEKQFBNJWQYNT-AWEZNQCLSA-N 1 2 273.384 2.580 40 0 CFABLO CCn1cc(C[N@H+]2CCC[C@H]2c2nc(C)c[nH]2)c(C)n1 ZINC000257302510 190030405 /nfs/dbraw/zinc/03/04/05/190030405.db2.gz SDEKQFBNJWQYNT-AWEZNQCLSA-N 1 2 273.384 2.580 40 0 CFABLO Cc1cnc(C2(C)CC[NH+](Cc3ccnn3C)CC2)s1 ZINC000257325499 190034033 /nfs/dbraw/zinc/03/40/33/190034033.db2.gz WTDXBWHQLXBHHT-UHFFFAOYSA-N 1 2 290.436 2.739 40 0 CFABLO CCCn1cc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257327004 190034955 /nfs/dbraw/zinc/03/49/55/190034955.db2.gz WZLSOERVFPCVBI-INIZCTEOSA-N 1 2 285.395 2.810 40 0 CFABLO CCCn1cc(C[N@H+]2CCCC[C@H]2c2ccncn2)cn1 ZINC000257327004 190034956 /nfs/dbraw/zinc/03/49/56/190034956.db2.gz WZLSOERVFPCVBI-INIZCTEOSA-N 1 2 285.395 2.810 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257334477 190036549 /nfs/dbraw/zinc/03/65/49/190036549.db2.gz YGBQVHFVVXLTIF-HNNXBMFYSA-N 1 2 272.327 2.656 40 0 CFABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257334477 190036550 /nfs/dbraw/zinc/03/65/50/190036550.db2.gz YGBQVHFVVXLTIF-HNNXBMFYSA-N 1 2 272.327 2.656 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc(C)cn1C ZINC000257343592 190037708 /nfs/dbraw/zinc/03/77/08/190037708.db2.gz ZTPIKQYCDARZQQ-CQSZACIVSA-N 1 2 285.395 2.502 40 0 CFABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1nc(C)cn1C ZINC000257343592 190037709 /nfs/dbraw/zinc/03/77/09/190037709.db2.gz ZTPIKQYCDARZQQ-CQSZACIVSA-N 1 2 285.395 2.502 40 0 CFABLO CCOc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225432638 382815935 /nfs/dbraw/zinc/81/59/35/382815935.db2.gz PAKYPUALOABFGD-UHFFFAOYSA-N 1 2 287.388 2.967 40 0 CFABLO Cc1cc(C)c(C(=O)NCCCn2cc[nH+]c2)cc1C ZINC000225648269 382819668 /nfs/dbraw/zinc/81/96/68/382819668.db2.gz XHBAFHWUFHTZSS-UHFFFAOYSA-N 1 2 271.364 2.628 40 0 CFABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccc(C)s2)[nH+]1 ZINC000257223638 383493557 /nfs/dbraw/zinc/49/35/57/383493557.db2.gz DYGJNHZSLRILOV-CYBMUJFWSA-N 1 2 277.393 2.662 40 0 CFABLO CC(C)[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096222070 256827961 /nfs/dbraw/zinc/82/79/61/256827961.db2.gz OIVHEWUCAQBWQM-GXTWGEPZSA-N 1 2 281.425 2.565 40 0 CFABLO CC(C)[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096222070 256827962 /nfs/dbraw/zinc/82/79/62/256827962.db2.gz OIVHEWUCAQBWQM-GXTWGEPZSA-N 1 2 281.425 2.565 40 0 CFABLO CC(C)CNc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072213347 393643313 /nfs/dbraw/zinc/64/33/13/393643313.db2.gz UMZAZBOIKAPZFM-CQSZACIVSA-N 1 2 261.369 2.833 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072218794 393644958 /nfs/dbraw/zinc/64/49/58/393644958.db2.gz FKZSSSGAVOGLLG-OAHLLOKOSA-N 1 2 273.380 2.674 40 0 CFABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213891 393645313 /nfs/dbraw/zinc/64/53/13/393645313.db2.gz BERFQAXOPHMVLH-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CC(C)(C)OC(=O)NCc1ccc(NC2CC2)[nH+]c1 ZINC000072225693 393647847 /nfs/dbraw/zinc/64/78/47/393647847.db2.gz NVFVRQBGZIECEU-UHFFFAOYSA-N 1 2 263.341 2.681 40 0 CFABLO COc1cc2c(cc1OC)C(=O)[C@@H](C1CCCCC1)[NH2+]C2 ZINC000005103297 286257821 /nfs/dbraw/zinc/25/78/21/286257821.db2.gz VWKKXPXVQJRIBE-MRXNPFEDSA-N 1 2 289.375 2.939 40 0 CFABLO C[NH+](C)c1ccc(N[C@H]2COc3ccccc3C2=O)cc1 ZINC000005424615 170098253 /nfs/dbraw/zinc/09/82/53/170098253.db2.gz VMYIUKDCEIZFMP-HNNXBMFYSA-N 1 2 282.343 2.808 40 0 CFABLO COc1cc(-c2[nH]c3ccc(N)cc3[nH+]2)ccc1O ZINC000006733649 170236515 /nfs/dbraw/zinc/23/65/15/170236515.db2.gz PSEFCJMITSXPGH-UHFFFAOYSA-N 1 2 255.277 2.526 40 0 CFABLO c1coc(C[NH2+]Cc2nnc(-c3ccccc3)o2)c1 ZINC000022608796 171394338 /nfs/dbraw/zinc/39/43/38/171394338.db2.gz DBHKNVQDHPZOLR-UHFFFAOYSA-N 1 2 255.277 2.619 40 0 CFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(C)=O)C2)n1 ZINC000072355662 176374877 /nfs/dbraw/zinc/37/48/77/176374877.db2.gz HJQLVIQQCNDAOU-CQSZACIVSA-N 1 2 298.390 2.556 40 0 CFABLO CC[N@@H+]1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000072384594 176388576 /nfs/dbraw/zinc/38/85/76/176388576.db2.gz LWNILVUZLKMVLU-ZDUSSCGKSA-N 1 2 298.394 2.784 40 0 CFABLO CC[N@H+]1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000072384594 176388577 /nfs/dbraw/zinc/38/85/77/176388577.db2.gz LWNILVUZLKMVLU-ZDUSSCGKSA-N 1 2 298.394 2.784 40 0 CFABLO CNc1cccc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385562 176390525 /nfs/dbraw/zinc/39/05/25/176390525.db2.gz UDAIGBYWTNPUJX-ZDUSSCGKSA-N 1 2 269.352 2.563 40 0 CFABLO CSc1ncc(C[N@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000072397963 176395707 /nfs/dbraw/zinc/39/57/07/176395707.db2.gz DWGFGJONAJIFIT-JTQLQIEISA-N 1 2 263.366 2.985 40 0 CFABLO CSc1ncc(C[N@@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000072397963 176395708 /nfs/dbraw/zinc/39/57/08/176395708.db2.gz DWGFGJONAJIFIT-JTQLQIEISA-N 1 2 263.366 2.985 40 0 CFABLO Cc1nc([C@@H]2CCCC[N@H+]2C)cc(C(F)(F)F)n1 ZINC000072382223 293365806 /nfs/dbraw/zinc/36/58/06/293365806.db2.gz JEWXKMYJEPXNMW-JTQLQIEISA-N 1 2 259.275 2.961 40 0 CFABLO Cc1nc([C@@H]2CCCC[N@@H+]2C)cc(C(F)(F)F)n1 ZINC000072382223 293365807 /nfs/dbraw/zinc/36/58/07/293365807.db2.gz JEWXKMYJEPXNMW-JTQLQIEISA-N 1 2 259.275 2.961 40 0 CFABLO CNc1nc(Nc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329056590 524036643 /nfs/dbraw/zinc/03/66/43/524036643.db2.gz VSFKMVJBGNTHJE-UHFFFAOYSA-N 1 2 274.755 2.637 40 0 CFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533387 185007431 /nfs/dbraw/zinc/00/74/31/185007431.db2.gz SUKZHKZTKQOLBD-AWEZNQCLSA-N 1 2 280.331 2.528 40 0 CFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533387 185007433 /nfs/dbraw/zinc/00/74/33/185007433.db2.gz SUKZHKZTKQOLBD-AWEZNQCLSA-N 1 2 280.331 2.528 40 0 CFABLO COc1ccc(Br)cc1-c1[nH]cc[nH+]1 ZINC000082556187 178092899 /nfs/dbraw/zinc/09/28/99/178092899.db2.gz RURXHTKBBZYISY-UHFFFAOYSA-N 1 2 253.099 2.848 40 0 CFABLO CCOC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccsc1 ZINC000096044479 185071651 /nfs/dbraw/zinc/07/16/51/185071651.db2.gz ZPEPYKSSPYKRRN-AWEZNQCLSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccsc1 ZINC000096044479 185071652 /nfs/dbraw/zinc/07/16/52/185071652.db2.gz ZPEPYKSSPYKRRN-AWEZNQCLSA-N 1 2 291.420 2.618 40 0 CFABLO COCc1nn(C(C)C)c2c1CC[N@H+](Cc1ccoc1)C2 ZINC000096058978 185079046 /nfs/dbraw/zinc/07/90/46/185079046.db2.gz HVDGWBGXUKJLPC-UHFFFAOYSA-N 1 2 289.379 2.762 40 0 CFABLO COCc1nn(C(C)C)c2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000096058978 185079047 /nfs/dbraw/zinc/07/90/47/185079047.db2.gz HVDGWBGXUKJLPC-UHFFFAOYSA-N 1 2 289.379 2.762 40 0 CFABLO COCCn1c[nH+]cc1-c1c[nH]nc1-c1ccc(C)cc1 ZINC000019697167 346241842 /nfs/dbraw/zinc/24/18/42/346241842.db2.gz YQPULPCVGYKYLX-UHFFFAOYSA-N 1 2 282.347 2.895 40 0 CFABLO Cc1nc(N)cc(Cc2ccc(Br)cc2)[nH+]1 ZINC000575622616 348670323 /nfs/dbraw/zinc/67/03/23/348670323.db2.gz YEAHUASXYMIDIZ-UHFFFAOYSA-N 1 2 278.153 2.551 40 0 CFABLO CCNc1nc(Nc2cc(C)cc(C)c2)cc(C2CC2)[nH+]1 ZINC000329057763 202172562 /nfs/dbraw/zinc/17/25/62/202172562.db2.gz VYOMAWPXQGXPBJ-UHFFFAOYSA-N 1 2 282.391 2.990 40 0 CFABLO C[N@@H+]1C[C@H]2CCCC3=C2N(C1)C(=S)NC31CCCCC1 ZINC000000129674 283246837 /nfs/dbraw/zinc/24/68/37/283246837.db2.gz LRLIONYJNZLUDC-GFCCVEGCSA-N 1 2 291.464 2.837 40 0 CFABLO C[N@H+]1C[C@H]2CCCC3=C2N(C1)C(=S)NC31CCCCC1 ZINC000000129674 283246840 /nfs/dbraw/zinc/24/68/40/283246840.db2.gz LRLIONYJNZLUDC-GFCCVEGCSA-N 1 2 291.464 2.837 40 0 CFABLO CCC[NH+]1C=CC(=C2N=c3ccc(Cl)cc3=N2)C=C1 ZINC000409416119 283316514 /nfs/dbraw/zinc/31/65/14/283316514.db2.gz VDENYZPOIPGHGK-UHFFFAOYSA-N 1 2 271.751 2.557 40 0 CFABLO CC(C)=C1CC(C)(C)[NH+]=C1CCN1CCOCC1 ZINC000004620263 371867621 /nfs/dbraw/zinc/86/76/21/371867621.db2.gz SLWSIPAJFIHSAA-UHFFFAOYSA-N 1 2 250.386 2.668 40 0 CFABLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(C2CC2)[nH]n1 ZINC000019350043 372156974 /nfs/dbraw/zinc/15/69/74/372156974.db2.gz NKODKXWWUOVFAE-UHFFFAOYSA-N 1 2 293.330 2.725 40 0 CFABLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000019458607 372164140 /nfs/dbraw/zinc/16/41/40/372164140.db2.gz FCKSDPWILODJCA-LBPRGKRZSA-N 1 2 283.331 2.897 40 0 CFABLO Cc1ccc(C(=O)CCC[NH+]2CCOCC2)c(C)c1 ZINC000031938730 372423977 /nfs/dbraw/zinc/42/39/77/372423977.db2.gz ATEMGULMMYAWQH-UHFFFAOYSA-N 1 2 261.365 2.599 40 0 CFABLO C[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000082752528 374739474 /nfs/dbraw/zinc/73/94/74/374739474.db2.gz BRMVUALUFNFWEW-LURJTMIESA-N 1 2 256.231 2.510 40 0 CFABLO Clc1cccc(C[N@@H+]2CC[C@@H]3O[C@@H]3C2)c1Cl ZINC000095097775 375415560 /nfs/dbraw/zinc/41/55/60/375415560.db2.gz FHGQDWRRFRRGBN-WDEREUQCSA-N 1 2 258.148 2.967 40 0 CFABLO Clc1cccc(C[N@H+]2CC[C@@H]3O[C@@H]3C2)c1Cl ZINC000095097775 375415566 /nfs/dbraw/zinc/41/55/66/375415566.db2.gz FHGQDWRRFRRGBN-WDEREUQCSA-N 1 2 258.148 2.967 40 0 CFABLO Cc1c(C[NH2+]Cc2ccn(C(F)F)n2)cnn1C(C)C ZINC000256050383 190003139 /nfs/dbraw/zinc/00/31/39/190003139.db2.gz DUZXGBMDYCRQJA-UHFFFAOYSA-N 1 2 283.326 2.654 40 0 CFABLO c1ccc(N2C[C@@H]3[C@@H](Cc4cncnc4)CC[C@@H]3C2)[nH+]c1 ZINC000257213253 190012886 /nfs/dbraw/zinc/01/28/86/190012886.db2.gz CGTXNZMQTRTRAM-BZUAXINKSA-N 1 2 280.375 2.577 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257234190 190017284 /nfs/dbraw/zinc/01/72/84/190017284.db2.gz GSNHYCRTQWTHEC-HNNXBMFYSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)[nH+]1 ZINC000257234190 190017285 /nfs/dbraw/zinc/01/72/85/190017285.db2.gz GSNHYCRTQWTHEC-HNNXBMFYSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN2Cc2csc(C)n2)[nH+]1 ZINC000257218759 190014105 /nfs/dbraw/zinc/01/41/05/190014105.db2.gz DEIFXJVTGJYNHZ-CYBMUJFWSA-N 1 2 276.409 2.831 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccsc3)C2)[nH+]1 ZINC000257216280 190014273 /nfs/dbraw/zinc/01/42/73/190014273.db2.gz CTVNOCDTUDCQGG-ZDUSSCGKSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1ncsc1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257253259 190020629 /nfs/dbraw/zinc/02/06/29/190020629.db2.gz JYECSQTWMWCTRY-OAHLLOKOSA-N 1 2 287.432 2.940 40 0 CFABLO Cc1ncsc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257253259 190020630 /nfs/dbraw/zinc/02/06/30/190020630.db2.gz JYECSQTWMWCTRY-OAHLLOKOSA-N 1 2 287.432 2.940 40 0 CFABLO COCC[N@@H+]1CCC[C@H]1c1nc(C)cc(C(F)(F)F)n1 ZINC000257255072 190020658 /nfs/dbraw/zinc/02/06/58/190020658.db2.gz KFZQWZNNRSQFRN-JTQLQIEISA-N 1 2 289.301 2.587 40 0 CFABLO COCC[N@H+]1CCC[C@H]1c1nc(C)cc(C(F)(F)F)n1 ZINC000257255072 190020659 /nfs/dbraw/zinc/02/06/59/190020659.db2.gz KFZQWZNNRSQFRN-JTQLQIEISA-N 1 2 289.301 2.587 40 0 CFABLO Cc1cc(C)nc([C@@]2(C)CCC[N@@H+]2Cc2ccccn2)n1 ZINC000257260476 190022730 /nfs/dbraw/zinc/02/27/30/190022730.db2.gz LCZVIFRHLSLKTF-QGZVFWFLSA-N 1 2 282.391 3.000 40 0 CFABLO Cc1cc(C)nc([C@@]2(C)CCC[N@H+]2Cc2ccccn2)n1 ZINC000257260476 190022731 /nfs/dbraw/zinc/02/27/31/190022731.db2.gz LCZVIFRHLSLKTF-QGZVFWFLSA-N 1 2 282.391 3.000 40 0 CFABLO Cc1nc(N2CCC[C@H]2CCc2ccncc2)cc[nH+]1 ZINC000257302215 190030749 /nfs/dbraw/zinc/03/07/49/190030749.db2.gz SBZDZJFPLHHXFM-HNNXBMFYSA-N 1 2 268.364 2.782 40 0 CFABLO CNc1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257338173 190035986 /nfs/dbraw/zinc/03/59/86/190035986.db2.gz YWHUIFYIKIGHMO-AWEZNQCLSA-N 1 2 289.404 2.758 40 0 CFABLO CNc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257338173 190035987 /nfs/dbraw/zinc/03/59/87/190035987.db2.gz YWHUIFYIKIGHMO-AWEZNQCLSA-N 1 2 289.404 2.758 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2Cc2nc3ccccc3n2C)[nH+]1 ZINC000257345055 190037768 /nfs/dbraw/zinc/03/77/68/190037768.db2.gz ZZTRXZOQTOKWFP-HNNXBMFYSA-N 1 2 295.390 2.942 40 0 CFABLO CC[NH+](CC)CCCc1[nH]c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000225294499 382814285 /nfs/dbraw/zinc/81/42/85/382814285.db2.gz MGVBSGCKBJBUIB-UHFFFAOYSA-N 1 2 275.352 2.536 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257232412 383493152 /nfs/dbraw/zinc/49/31/52/383493152.db2.gz GKTQOKBENDZJIH-AWEZNQCLSA-N 1 2 271.368 2.574 40 0 CFABLO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257232412 383493159 /nfs/dbraw/zinc/49/31/59/383493159.db2.gz GKTQOKBENDZJIH-AWEZNQCLSA-N 1 2 271.368 2.574 40 0 CFABLO Cc1nn(C)c(C)c1C[NH2+]Cc1csc(C2CC2)n1 ZINC000069877615 393636412 /nfs/dbraw/zinc/63/64/12/393636412.db2.gz KPGPQDNXMBMTLB-UHFFFAOYSA-N 1 2 276.409 2.661 40 0 CFABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213491 393643612 /nfs/dbraw/zinc/64/36/12/393643612.db2.gz UBIMIYZUEMEIBO-RISCZKNCSA-N 1 2 261.369 2.975 40 0 CFABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1C=O ZINC000072212929 393643769 /nfs/dbraw/zinc/64/37/69/393643769.db2.gz ULFAGZKAVDYHCC-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072212811 393643868 /nfs/dbraw/zinc/64/38/68/393643868.db2.gz CKUHNERMQRFHSH-CQSZACIVSA-N 1 2 261.369 2.611 40 0 CFABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216690 393645461 /nfs/dbraw/zinc/64/54/61/393645461.db2.gz ZOFFSVNEDONTFF-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO CC(C)[N@@H+]1CCCC[C@@H]1c1ncc(C(=O)N(C)C)s1 ZINC000257297933 393945100 /nfs/dbraw/zinc/94/51/00/393945100.db2.gz RJKSCTQPQWZXQA-LLVKDONJSA-N 1 2 281.425 2.780 40 0 CFABLO CC(C)[N@H+]1CCCC[C@@H]1c1ncc(C(=O)N(C)C)s1 ZINC000257297933 393945105 /nfs/dbraw/zinc/94/51/05/393945105.db2.gz RJKSCTQPQWZXQA-LLVKDONJSA-N 1 2 281.425 2.780 40 0 CFABLO CC[NH+](CC)CCOC(=S)Nc1ccccc1 ZINC000005649917 170124123 /nfs/dbraw/zinc/12/41/23/170124123.db2.gz KLPQLZXQFXHFOH-UHFFFAOYSA-N 1 2 252.383 2.742 40 0 CFABLO C=Cc1c[nH+]c2n1CCN(C(=O)OC(C)(C)C)[C@H]2C ZINC000261507805 276928895 /nfs/dbraw/zinc/92/88/95/276928895.db2.gz MNBNCLSVHZDMOK-JTQLQIEISA-N 1 2 263.341 2.838 40 0 CFABLO CNc1nc(Nc2c(C)cccc2C)cc(C2CC2)[nH+]1 ZINC000329023960 290322683 /nfs/dbraw/zinc/32/26/83/290322683.db2.gz OXJOXJLUFGECEK-UHFFFAOYSA-N 1 2 268.364 2.600 40 0 CFABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1CC1CC1 ZINC000257309401 295395684 /nfs/dbraw/zinc/39/56/84/295395684.db2.gz UAUUIOXOMAYKFC-HNNXBMFYSA-N 1 2 283.375 2.859 40 0 CFABLO CC(C)[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000095534711 185006818 /nfs/dbraw/zinc/00/68/18/185006818.db2.gz JZDVIUPTTQZPLG-SNVBAGLBSA-N 1 2 250.733 2.781 40 0 CFABLO O=S1(=O)C=C[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000105889654 347730168 /nfs/dbraw/zinc/73/01/68/347730168.db2.gz MRGGHPSXKUZACQ-MRXNPFEDSA-N 1 2 299.395 2.676 40 0 CFABLO CNc1cc(NCc2ccc(Br)cc2)nc[nH+]1 ZINC000127350422 347840946 /nfs/dbraw/zinc/84/09/46/347840946.db2.gz SXNBTXNJIZBAIM-UHFFFAOYSA-N 1 2 293.168 2.893 40 0 CFABLO CNc1cc(NCc2ccc(Br)cc2)[nH+]cn1 ZINC000127350422 347840949 /nfs/dbraw/zinc/84/09/49/347840949.db2.gz SXNBTXNJIZBAIM-UHFFFAOYSA-N 1 2 293.168 2.893 40 0 CFABLO Fc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329046110 202168015 /nfs/dbraw/zinc/16/80/15/202168015.db2.gz UABANSSXJDDOFA-UHFFFAOYSA-N 1 2 284.338 2.655 40 0 CFABLO Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N)[nH+]1 ZINC000001675008 371695116 /nfs/dbraw/zinc/69/51/16/371695116.db2.gz WSFJSICRAQCIFB-UHFFFAOYSA-N 1 2 270.123 2.691 40 0 CFABLO Nc1cc(Nc2ccc(Cl)c(Cl)c2)[nH+]c(N)n1 ZINC000001675008 371695121 /nfs/dbraw/zinc/69/51/21/371695121.db2.gz WSFJSICRAQCIFB-UHFFFAOYSA-N 1 2 270.123 2.691 40 0 CFABLO CC1CC[NH+](CC(=O)Nc2cc(N)ccc2Cl)CC1 ZINC000013609278 372035424 /nfs/dbraw/zinc/03/54/24/372035424.db2.gz DQGSPHBHDOYKGM-UHFFFAOYSA-N 1 2 281.787 2.593 40 0 CFABLO CCSC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000031659745 372414721 /nfs/dbraw/zinc/41/47/21/372414721.db2.gz AVEBTYWTJAIKTP-UHFFFAOYSA-N 1 2 250.411 2.828 40 0 CFABLO O=C(C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000034981408 372524987 /nfs/dbraw/zinc/52/49/87/372524987.db2.gz NOABGVJKGKNFGN-UHFFFAOYSA-N 1 2 251.329 2.928 40 0 CFABLO O=C(C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000034981408 372524993 /nfs/dbraw/zinc/52/49/93/372524993.db2.gz NOABGVJKGKNFGN-UHFFFAOYSA-N 1 2 251.329 2.928 40 0 CFABLO Cc1cc(N2CCC[C@H](c3ccncc3)C2)nc[nH+]1 ZINC000072369002 374246152 /nfs/dbraw/zinc/24/61/52/374246152.db2.gz BQLUYKBFAKGMON-AWEZNQCLSA-N 1 2 254.337 2.564 40 0 CFABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256054212 190004858 /nfs/dbraw/zinc/00/48/58/190004858.db2.gz VLULHUUYFPXUPT-UHFFFAOYSA-N 1 2 289.427 2.915 40 0 CFABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256049535 190002270 /nfs/dbraw/zinc/00/22/70/190002270.db2.gz AJGQPEUXZYKTJL-UHFFFAOYSA-N 1 2 275.400 2.669 40 0 CFABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256053475 190004718 /nfs/dbraw/zinc/00/47/18/190004718.db2.gz ROXWDHDIAPUQHB-AWEZNQCLSA-N 1 2 289.427 2.996 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2ccnn2[C@H](C)CC)n1 ZINC000256054432 190005526 /nfs/dbraw/zinc/00/55/26/190005526.db2.gz WFZXPJAPNYNXEA-CYBMUJFWSA-N 1 2 275.400 2.750 40 0 CFABLO Cc1[nH]ncc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257226672 190015444 /nfs/dbraw/zinc/01/54/44/190015444.db2.gz FLQLIGZRSKWCFB-UHFFFAOYSA-N 1 2 276.409 2.728 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257227859 190016071 /nfs/dbraw/zinc/01/60/71/190016071.db2.gz FRGKWOFQGFBMBM-NSHDSACASA-N 1 2 275.377 2.799 40 0 CFABLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)no1 ZINC000257261140 190022781 /nfs/dbraw/zinc/02/27/81/190022781.db2.gz LFWWHYIQTCMDMU-OAHLLOKOSA-N 1 2 286.379 2.781 40 0 CFABLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)no1 ZINC000257261140 190022782 /nfs/dbraw/zinc/02/27/82/190022782.db2.gz LFWWHYIQTCMDMU-OAHLLOKOSA-N 1 2 286.379 2.781 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ncccc2C)n1 ZINC000257316275 190032807 /nfs/dbraw/zinc/03/28/07/190032807.db2.gz VEXKMCJPSMDWOP-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO Cc1c[nH]c([C@@H]2CCC[N@H+]2Cc2ncccc2C)n1 ZINC000257316275 190032808 /nfs/dbraw/zinc/03/28/08/190032808.db2.gz VEXKMCJPSMDWOP-AWEZNQCLSA-N 1 2 256.353 2.759 40 0 CFABLO COc1ccc(CCNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225178313 382813094 /nfs/dbraw/zinc/81/30/94/382813094.db2.gz AESGIUSFWGVDSE-UHFFFAOYSA-N 1 2 287.388 2.619 40 0 CFABLO CC[NH+]1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 ZINC000226044289 382824410 /nfs/dbraw/zinc/82/44/10/382824410.db2.gz QGRLCSGJBADXCS-UHFFFAOYSA-N 1 2 272.348 2.519 40 0 CFABLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257221249 383492830 /nfs/dbraw/zinc/49/28/30/383492830.db2.gz DOCRZVUFYYNVMC-HNNXBMFYSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257221249 383492833 /nfs/dbraw/zinc/49/28/33/383492833.db2.gz DOCRZVUFYYNVMC-HNNXBMFYSA-N 1 2 256.353 2.840 40 0 CFABLO c1ccc(N2CCC[C@H](Cc3cccnc3)C2)[nH+]c1 ZINC000257289082 383494305 /nfs/dbraw/zinc/49/43/05/383494305.db2.gz PWXDQXJFPQCTJT-OAHLLOKOSA-N 1 2 253.349 2.936 40 0 CFABLO CCc1nc2sc3c(c2c(NN)[nH+]1)CC[C@@H](C)C3 ZINC000000413268 393450860 /nfs/dbraw/zinc/45/08/60/393450860.db2.gz SAOQOYCTISGPNT-SSDOTTSWSA-N 1 2 262.382 2.664 40 0 CFABLO Cc1ccc2ccccc2[n+]1-c1cc(O)ccc1O ZINC000001598309 393452268 /nfs/dbraw/zinc/45/22/68/393452268.db2.gz GNUPFJBYPGRHKI-UHFFFAOYSA-O 1 2 252.293 2.836 40 0 CFABLO Cc1[nH+]ccn1C(F)(F)C(F)(F)Br ZINC000057354532 393621542 /nfs/dbraw/zinc/62/15/42/393621542.db2.gz RGQYZTLWWBSJFB-UHFFFAOYSA-N 1 2 261.016 2.729 40 0 CFABLO S=c1oc(COc2ccccc2)nn1C[NH+]1CCCC1 ZINC000059484595 393624959 /nfs/dbraw/zinc/62/49/59/393624959.db2.gz JOBPJKLMLXDDTD-UHFFFAOYSA-N 1 2 291.376 2.838 40 0 CFABLO CCCNc1[nH+]cccc1[C@H]1CCCCN1C(C)=O ZINC000072213169 393644006 /nfs/dbraw/zinc/64/40/06/393644006.db2.gz BRMLGPGDYOXALQ-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216016 393645227 /nfs/dbraw/zinc/64/52/27/393645227.db2.gz PWYNZSSTMHAENK-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(C)=O)C2)n1 ZINC000072355663 176375143 /nfs/dbraw/zinc/37/51/43/176375143.db2.gz HJQLVIQQCNDAOU-AWEZNQCLSA-N 1 2 298.390 2.556 40 0 CFABLO c1csc(-c2ccnc(NCCCn3cc[nH+]c3)n2)c1 ZINC000072397769 176395758 /nfs/dbraw/zinc/39/57/58/176395758.db2.gz YXIHYTSHRVVMOU-UHFFFAOYSA-N 1 2 285.376 2.904 40 0 CFABLO CNc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000021661436 277305988 /nfs/dbraw/zinc/30/59/88/277305988.db2.gz NVLDGFYMEVEWMD-UHFFFAOYSA-N 1 2 273.727 2.819 40 0 CFABLO Cc1nc(Cl)c2c(c1-c1ccccc1)C(=[NH2+])NC2=N ZINC000078547453 279085641 /nfs/dbraw/zinc/08/56/41/279085641.db2.gz BPCQNNPCBTWVQS-UHFFFAOYSA-N 1 2 270.723 2.755 40 0 CFABLO Cc1cc(C2CCN(c3cnccn3)CC2)cc[nH+]1 ZINC000072380881 280466691 /nfs/dbraw/zinc/46/66/91/280466691.db2.gz WDEYDWATKZGMDO-UHFFFAOYSA-N 1 2 254.337 2.564 40 0 CFABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000329051396 519699338 /nfs/dbraw/zinc/69/93/38/519699338.db2.gz UWCMLQNDTGGCQA-UHFFFAOYSA-N 1 2 297.406 2.557 40 0 CFABLO CCc1[nH]c2ccc(NC(=O)C[C@@H](C)n3cccn3)cc2[nH+]1 ZINC000072398292 522489224 /nfs/dbraw/zinc/48/92/24/522489224.db2.gz JDMZWDKPXSKAPY-LLVKDONJSA-N 1 2 297.362 2.912 40 0 CFABLO C[C@H]([NH3+])c1nnc(COc2ccc(C(C)(C)C)cc2)[nH]1 ZINC000095534672 185005965 /nfs/dbraw/zinc/00/59/65/185005965.db2.gz ICTRETXBXYCSLL-JTQLQIEISA-N 1 2 274.368 2.701 40 0 CFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533386 185006381 /nfs/dbraw/zinc/00/63/81/185006381.db2.gz SUKZHKZTKQOLBD-CQSZACIVSA-N 1 2 280.331 2.528 40 0 CFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccccc3)n2)cc1 ZINC000095533386 185006383 /nfs/dbraw/zinc/00/63/83/185006383.db2.gz SUKZHKZTKQOLBD-CQSZACIVSA-N 1 2 280.331 2.528 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096044811 185071922 /nfs/dbraw/zinc/07/19/22/185071922.db2.gz LBZUKHZUIMWCAU-GFCCVEGCSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000096044811 185071924 /nfs/dbraw/zinc/07/19/24/185071924.db2.gz LBZUKHZUIMWCAU-GFCCVEGCSA-N 1 2 291.420 2.618 40 0 CFABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000129996094 136388328 /nfs/dbraw/zinc/38/83/28/136388328.db2.gz OIDRMMHHFPOTFF-CYBMUJFWSA-N 1 2 287.388 2.542 40 0 CFABLO Cc1cc2c(cc1C)C[NH+](CC(=O)NCc1ccccc1)C2 ZINC000008367531 346223867 /nfs/dbraw/zinc/22/38/67/346223867.db2.gz ACDYYYBJMLOFBN-UHFFFAOYSA-N 1 2 294.398 2.935 40 0 CFABLO CC(C)(C)OC(=O)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000409432357 348601601 /nfs/dbraw/zinc/60/16/01/348601601.db2.gz NPNKYUXBDUOVSH-UHFFFAOYSA-N 1 2 272.348 2.816 40 0 CFABLO CCCCNc1[nH+]cnc2c1cnn2[C@@H]1CCCCO1 ZINC000002045053 371715917 /nfs/dbraw/zinc/71/59/17/371715917.db2.gz CXXIGAKILZGRRY-LBPRGKRZSA-N 1 2 275.356 2.737 40 0 CFABLO COc1ccc(-c2[nH]nc(SC)c2-n2cc[nH+]c2)cc1 ZINC000004555739 371864592 /nfs/dbraw/zinc/86/45/92/371864592.db2.gz QGRYZWBQVHYFOS-UHFFFAOYSA-N 1 2 286.360 2.993 40 0 CFABLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000019458605 372164831 /nfs/dbraw/zinc/16/48/31/372164831.db2.gz FCKSDPWILODJCA-GFCCVEGCSA-N 1 2 283.331 2.897 40 0 CFABLO C[C@H]1CCc2c(C(=O)NCc3[nH+]ccn3C)csc2C1 ZINC000019497182 372169858 /nfs/dbraw/zinc/16/98/58/372169858.db2.gz UALAHKXKYBUXOD-JTQLQIEISA-N 1 2 289.404 2.536 40 0 CFABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000066319065 373926132 /nfs/dbraw/zinc/92/61/32/373926132.db2.gz XOMXAOIKQASKRJ-SNVBAGLBSA-N 1 2 251.330 2.872 40 0 CFABLO Cc1cc(N2CCC(Cc3cccnc3)CC2)nc[nH+]1 ZINC000072385584 374249288 /nfs/dbraw/zinc/24/92/88/374249288.db2.gz KLCMOGHUANLBHE-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO CC(C)[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096222073 375480263 /nfs/dbraw/zinc/48/02/63/375480263.db2.gz OIVHEWUCAQBWQM-OCCSQVGLSA-N 1 2 281.425 2.565 40 0 CFABLO CC(C)[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096222073 375480268 /nfs/dbraw/zinc/48/02/68/375480268.db2.gz OIVHEWUCAQBWQM-OCCSQVGLSA-N 1 2 281.425 2.565 40 0 CFABLO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256053422 190004900 /nfs/dbraw/zinc/00/49/00/190004900.db2.gz RKQSEKZCSMUTBV-SNVBAGLBSA-N 1 2 283.326 2.736 40 0 CFABLO Cc1n[nH]cc1CN1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257238793 190018128 /nfs/dbraw/zinc/01/81/28/190018128.db2.gz HMNYILLNVSAAQY-MRXNPFEDSA-N 1 2 293.374 2.672 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc(C)s3)C2)[nH+]1 ZINC000257286360 190027364 /nfs/dbraw/zinc/02/73/64/190027364.db2.gz PLGVSEBEZZQUQB-LBPRGKRZSA-N 1 2 289.404 2.647 40 0 CFABLO c1cc2nc([C@@H]3CCCC[N@H+]3Cc3cscn3)ccn2n1 ZINC000257201953 383493215 /nfs/dbraw/zinc/49/32/15/383493215.db2.gz AJUJOXQEJFRMNM-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO c1cc2nc([C@@H]3CCCC[N@@H+]3Cc3cscn3)ccn2n1 ZINC000257201953 383493219 /nfs/dbraw/zinc/49/32/19/383493219.db2.gz AJUJOXQEJFRMNM-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO Cc1cccnc1C(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257326823 383495497 /nfs/dbraw/zinc/49/54/97/383495497.db2.gz WYTDANMAPPRXKI-INIZCTEOSA-N 1 2 295.386 2.519 40 0 CFABLO Cc1cccnc1C(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257326823 383495506 /nfs/dbraw/zinc/49/55/06/383495506.db2.gz WYTDANMAPPRXKI-INIZCTEOSA-N 1 2 295.386 2.519 40 0 CFABLO Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212370 393643347 /nfs/dbraw/zinc/64/33/47/393643347.db2.gz WOULPGXDNPPGGD-AWEZNQCLSA-N 1 2 267.332 2.641 40 0 CFABLO Nc1[nH+]cccc1[C@H]1CCCN1C(=O)c1ccccc1 ZINC000072212425 393643450 /nfs/dbraw/zinc/64/34/50/393643450.db2.gz GVJRNXRAVBJUIG-CQSZACIVSA-N 1 2 267.332 2.641 40 0 CFABLO CCCCNc1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072213592 393644965 /nfs/dbraw/zinc/64/49/65/393644965.db2.gz GNDGCUGZVZGTMJ-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO O=CN1CCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216689 393645065 /nfs/dbraw/zinc/64/50/65/393645065.db2.gz ZOFFSVNEDONTFF-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213931 393645332 /nfs/dbraw/zinc/64/53/32/393645332.db2.gz GVDHLFYRPOCXBV-CQSZACIVSA-N 1 2 259.353 2.729 40 0 CFABLO CCCCNc1ccc([C@@H]2CCCCN2C=O)c[nH+]1 ZINC000072213690 393645487 /nfs/dbraw/zinc/64/54/87/393645487.db2.gz JEJOJAQFUAEDFW-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO Cc1cc(CCO)c[nH+]c1N1CCc2ccccc21 ZINC000072222914 393646450 /nfs/dbraw/zinc/64/64/50/393646450.db2.gz AOVJAIAPWVFDAE-UHFFFAOYSA-N 1 2 254.333 2.619 40 0 CFABLO CCN(C)c1[nH+]cc([C@H](O)c2ccccc2)cc1C ZINC000072222202 393646621 /nfs/dbraw/zinc/64/66/21/393646621.db2.gz NXESYHONPPFJAW-OAHLLOKOSA-N 1 2 256.349 2.928 40 0 CFABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1CCO ZINC000072223958 393647364 /nfs/dbraw/zinc/64/73/64/393647364.db2.gz ITUDRRZZVVUJCS-UHFFFAOYSA-N 1 2 254.333 2.619 40 0 CFABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCCC1 ZINC000038835820 174156878 /nfs/dbraw/zinc/15/68/78/174156878.db2.gz LWZVHFYUFVTJQF-UHFFFAOYSA-N 1 2 283.375 2.948 40 0 CFABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000072372063 176384716 /nfs/dbraw/zinc/38/47/16/176384716.db2.gz GAHWJPNWWDELNL-CQSZACIVSA-N 1 2 259.328 2.896 40 0 CFABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000072372063 176384717 /nfs/dbraw/zinc/38/47/17/176384717.db2.gz GAHWJPNWWDELNL-CQSZACIVSA-N 1 2 259.328 2.896 40 0 CFABLO CC(C)(C)OC(=O)N1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000076699046 177061693 /nfs/dbraw/zinc/06/16/93/177061693.db2.gz DHBSLPHOGHQLFE-LLVKDONJSA-N 1 2 263.341 2.503 40 0 CFABLO CC[NH+]1CCN(c2c(Cl)cc(N)cc2Cl)CC1 ZINC000045885906 279373437 /nfs/dbraw/zinc/37/34/37/279373437.db2.gz JSJKVHAGUPANFN-UHFFFAOYSA-N 1 2 274.195 2.718 40 0 CFABLO CNc1nc(Nc2c(C)cc(C)cc2C)cc(C2CC2)[nH+]1 ZINC000329058484 524037087 /nfs/dbraw/zinc/03/70/87/524037087.db2.gz WDDFIZQUXGRUJQ-UHFFFAOYSA-N 1 2 282.391 2.908 40 0 CFABLO CNc1nc(Nc2cc(C)cc(C)c2)cc(C2CC2)[nH+]1 ZINC000328962914 524037136 /nfs/dbraw/zinc/03/71/36/524037136.db2.gz BKMSMTTVLZCQRH-UHFFFAOYSA-N 1 2 268.364 2.600 40 0 CFABLO Cn1c2cc(Cl)ccc2[nH+]c1CCCCCO ZINC000095532033 185004909 /nfs/dbraw/zinc/00/49/09/185004909.db2.gz RFOCMPHZKAENAQ-UHFFFAOYSA-N 1 2 252.745 2.932 40 0 CFABLO CC(C)[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000095534710 185006414 /nfs/dbraw/zinc/00/64/14/185006414.db2.gz JZDVIUPTTQZPLG-JTQLQIEISA-N 1 2 250.733 2.781 40 0 CFABLO [NH3+][C@@H](c1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533375 185006470 /nfs/dbraw/zinc/00/64/70/185006470.db2.gz CBXATTFVSUQOHV-CYBMUJFWSA-N 1 2 268.295 2.659 40 0 CFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533641 185006679 /nfs/dbraw/zinc/00/66/79/185006679.db2.gz RZBAHBOEMJGCNS-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO CCSc1ncc(C[NH2+]Cc2nc3ccccc3[nH]2)cn1 ZINC000062718365 346690582 /nfs/dbraw/zinc/69/05/82/346690582.db2.gz PEYIWAQQMNZQLC-UHFFFAOYSA-N 1 2 299.403 2.755 40 0 CFABLO CO[C@H]1C[N@H+](Cc2cn[nH]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585279428 348738943 /nfs/dbraw/zinc/73/89/43/348738943.db2.gz MDDDGYJCJUQLJH-AEFFLSMTSA-N 1 2 299.418 2.798 40 0 CFABLO CO[C@H]1C[N@@H+](Cc2cn[nH]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585279428 348738946 /nfs/dbraw/zinc/73/89/46/348738946.db2.gz MDDDGYJCJUQLJH-AEFFLSMTSA-N 1 2 299.418 2.798 40 0 CFABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC)n1 ZINC000328982120 202140674 /nfs/dbraw/zinc/14/06/74/202140674.db2.gz GYBXVCCVQZZRNK-UHFFFAOYSA-N 1 2 282.391 2.854 40 0 CFABLO CCNc1nc(NCc2ccco2)cc(-c2ccccc2)[nH+]1 ZINC000329027066 202157617 /nfs/dbraw/zinc/15/76/17/202157617.db2.gz PQTKSOACLGDYMB-UHFFFAOYSA-N 1 2 294.358 2.624 40 0 CFABLO CCNc1cc(-c2cccnc2)[nH+]c(NC(C)(C)C)n1 ZINC000329050844 202170379 /nfs/dbraw/zinc/17/03/79/202170379.db2.gz UVCKDOTVSSCPJZ-UHFFFAOYSA-N 1 2 271.368 2.603 40 0 CFABLO CCc1ccc(C[C@@H]2c3ccccc3C[C@H]2O)[nH+]c1 ZINC000001675104 371697265 /nfs/dbraw/zinc/69/72/65/371697265.db2.gz CGHPRNYVECJBLT-IAGOWNOFSA-N 1 2 253.345 2.887 40 0 CFABLO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cnn(C)c2)no1 ZINC000019119478 372149562 /nfs/dbraw/zinc/14/95/62/372149562.db2.gz JLQFOYYZQZYTNJ-HNNXBMFYSA-N 1 2 274.368 2.834 40 0 CFABLO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cnn(C)c2)no1 ZINC000019119478 372149568 /nfs/dbraw/zinc/14/95/68/372149568.db2.gz JLQFOYYZQZYTNJ-HNNXBMFYSA-N 1 2 274.368 2.834 40 0 CFABLO CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000019523916 372174657 /nfs/dbraw/zinc/17/46/57/372174657.db2.gz VPCUTWRABCVRNP-WMLDXEAASA-N 1 2 297.406 2.572 40 0 CFABLO CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)c1C ZINC000019523916 372174662 /nfs/dbraw/zinc/17/46/62/372174662.db2.gz VPCUTWRABCVRNP-WMLDXEAASA-N 1 2 297.406 2.572 40 0 CFABLO Cc1[nH]c2ccc(NC(=O)CC3(O)CCCCC3)cc2[nH+]1 ZINC000019576747 372176083 /nfs/dbraw/zinc/17/60/83/372176083.db2.gz ASVVXOAKXOGIIS-UHFFFAOYSA-N 1 2 287.363 2.895 40 0 CFABLO Brc1ccc(C[NH+]2CCCCC2)nc1 ZINC000026895187 372331584 /nfs/dbraw/zinc/33/15/84/372331584.db2.gz UQPUOJGAYLZKMH-UHFFFAOYSA-N 1 2 255.159 2.830 40 0 CFABLO COCCc1nc(Nc2cc(C)cc(C)c2)cc(N)[nH+]1 ZINC000049467696 373302324 /nfs/dbraw/zinc/30/23/24/373302324.db2.gz FUAJCLHCVKKAJL-UHFFFAOYSA-N 1 2 272.352 2.608 40 0 CFABLO COCCc1nc(N)cc(Nc2cc(C)cc(C)c2)[nH+]1 ZINC000049467696 373302330 /nfs/dbraw/zinc/30/23/30/373302330.db2.gz FUAJCLHCVKKAJL-UHFFFAOYSA-N 1 2 272.352 2.608 40 0 CFABLO COc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000066124402 373912049 /nfs/dbraw/zinc/91/20/49/373912049.db2.gz QJYCPQZJQZMZNV-UHFFFAOYSA-N 1 2 273.361 2.577 40 0 CFABLO COC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000067895970 374014058 /nfs/dbraw/zinc/01/40/58/374014058.db2.gz JXWKDGDYEUBCSU-GJZGRUSLSA-N 1 2 286.375 2.942 40 0 biogenic,in-vitro CFABLO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096244859 375482094 /nfs/dbraw/zinc/48/20/94/375482094.db2.gz RERNFYCIMYFUNB-DZGCQCFKSA-N 1 2 292.810 2.639 40 0 CFABLO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096244859 375482100 /nfs/dbraw/zinc/48/21/00/375482100.db2.gz RERNFYCIMYFUNB-DZGCQCFKSA-N 1 2 292.810 2.639 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cn(C(C)C)nc2C)n1 ZINC000256053855 190004940 /nfs/dbraw/zinc/00/49/40/190004940.db2.gz TXGOBCZKLZCHSG-UHFFFAOYSA-N 1 2 275.400 2.669 40 0 CFABLO CC(C)Cn1ccc(C[NH2+]Cc2ccnn2CC(C)C)n1 ZINC000256051088 190003654 /nfs/dbraw/zinc/00/36/54/190003654.db2.gz HQVHHCSUFKECNN-UHFFFAOYSA-N 1 2 289.427 2.681 40 0 CFABLO Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000098214205 375611872 /nfs/dbraw/zinc/61/18/72/375611872.db2.gz DKWODTJZKRAACE-UHFFFAOYSA-N 1 2 292.383 2.596 40 0 CFABLO CCC(=O)N1CCC[C@H](c2cccc3[nH+]c(C)cn32)C1 ZINC000257208994 190012016 /nfs/dbraw/zinc/01/20/16/190012016.db2.gz BOMMXTKLCZOVOY-ZDUSSCGKSA-N 1 2 271.364 2.759 40 0 CFABLO CCCCc1[nH]c(CN2CCC[C@@H]2c2cnccn2)c[nH+]1 ZINC000257229762 190016573 /nfs/dbraw/zinc/01/65/73/190016573.db2.gz FZKKBEAJOVAGBE-OAHLLOKOSA-N 1 2 285.395 2.879 40 0 CFABLO CCCCc1[nH]cc(CN2CCC[C@@H]2c2cnccn2)[nH+]1 ZINC000257229762 190016574 /nfs/dbraw/zinc/01/65/74/190016574.db2.gz FZKKBEAJOVAGBE-OAHLLOKOSA-N 1 2 285.395 2.879 40 0 CFABLO Cc1cc([C@H]2C[N@H+](Cc3ccsc3)CCO2)nc(C)n1 ZINC000257223809 190014752 /nfs/dbraw/zinc/01/47/52/190014752.db2.gz DYYWENMOCFVMMJ-OAHLLOKOSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1cc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)nc(C)n1 ZINC000257223809 190014753 /nfs/dbraw/zinc/01/47/53/190014753.db2.gz DYYWENMOCFVMMJ-OAHLLOKOSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cncc(C)n2)cs1 ZINC000257248879 190019989 /nfs/dbraw/zinc/01/99/89/190019989.db2.gz JFQRACBVGPPDAV-AWEZNQCLSA-N 1 2 274.393 2.887 40 0 CFABLO Cc1nc(C[N@H+]2CCC[C@H]2c2cncc(C)n2)cs1 ZINC000257248879 190019990 /nfs/dbraw/zinc/01/99/90/190019990.db2.gz JFQRACBVGPPDAV-AWEZNQCLSA-N 1 2 274.393 2.887 40 0 CFABLO c1cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cs1 ZINC000257255577 190020440 /nfs/dbraw/zinc/02/04/40/190020440.db2.gz KIAJRHPZKFAJMG-CQSZACIVSA-N 1 2 260.362 2.717 40 0 CFABLO c1cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cs1 ZINC000257255577 190020441 /nfs/dbraw/zinc/02/04/41/190020441.db2.gz KIAJRHPZKFAJMG-CQSZACIVSA-N 1 2 260.362 2.717 40 0 CFABLO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2c2nc(C)c[nH]2)c1C ZINC000257266560 190023036 /nfs/dbraw/zinc/02/30/36/190023036.db2.gz MDNWXNMQUQJJFQ-OAHLLOKOSA-N 1 2 287.411 2.888 40 0 CFABLO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2nc(C)c[nH]2)c1C ZINC000257266560 190023037 /nfs/dbraw/zinc/02/30/37/190023037.db2.gz MDNWXNMQUQJJFQ-OAHLLOKOSA-N 1 2 287.411 2.888 40 0 CFABLO CNc1cc([C@H]2CCCN2Cc2cscn2)[nH+]c(C)n1 ZINC000257282388 190026267 /nfs/dbraw/zinc/02/62/67/190026267.db2.gz OTOMAWKTUCPUCA-CYBMUJFWSA-N 1 2 289.408 2.620 40 0 CFABLO C[N@@H+]1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000257289460 190027732 /nfs/dbraw/zinc/02/77/32/190027732.db2.gz PYTAPVBBRBPMAK-LLVKDONJSA-N 1 2 275.381 2.834 40 0 CFABLO C[N@H+]1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000257289460 190027733 /nfs/dbraw/zinc/02/77/33/190027733.db2.gz PYTAPVBBRBPMAK-LLVKDONJSA-N 1 2 275.381 2.834 40 0 CFABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1nc(C)cn1C ZINC000257343591 190037525 /nfs/dbraw/zinc/03/75/25/190037525.db2.gz ZTPIKQYCDARZQQ-AWEZNQCLSA-N 1 2 285.395 2.502 40 0 CFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000257324099 190034473 /nfs/dbraw/zinc/03/44/73/190034473.db2.gz WNEDPWHQFIYBMP-CQSZACIVSA-N 1 2 297.406 2.765 40 0 CFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000257324099 190034474 /nfs/dbraw/zinc/03/44/74/190034474.db2.gz WNEDPWHQFIYBMP-CQSZACIVSA-N 1 2 297.406 2.765 40 0 CFABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257334840 190036470 /nfs/dbraw/zinc/03/64/70/190036470.db2.gz YHOAMAQVUIZWSU-OAHLLOKOSA-N 1 2 272.327 2.656 40 0 CFABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257334840 190036471 /nfs/dbraw/zinc/03/64/71/190036471.db2.gz YHOAMAQVUIZWSU-OAHLLOKOSA-N 1 2 272.327 2.656 40 0 CFABLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2ccn3nccc3n2)no1 ZINC000257340352 190037248 /nfs/dbraw/zinc/03/72/48/190037248.db2.gz ZFPXCGFXJQOJMP-HNNXBMFYSA-N 1 2 297.362 2.753 40 0 CFABLO Cc1cc(C[N@H+]2CCCC[C@H]2c2ccn3nccc3n2)no1 ZINC000257340352 190037249 /nfs/dbraw/zinc/03/72/49/190037249.db2.gz ZFPXCGFXJQOJMP-HNNXBMFYSA-N 1 2 297.362 2.753 40 0 CFABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1nc(C)cn1C ZINC000257343591 190037524 /nfs/dbraw/zinc/03/75/24/190037524.db2.gz ZTPIKQYCDARZQQ-AWEZNQCLSA-N 1 2 285.395 2.502 40 0 CFABLO Cn1c2ccccc2[nH+]c1C[C@H](CCO)C(F)(F)F ZINC000575424528 382770526 /nfs/dbraw/zinc/77/05/26/382770526.db2.gz MCBPADSIGLBFJQ-VIFPVBQESA-N 1 2 272.270 2.677 40 0 CFABLO c1cn2c(cccc2C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000257259588 383494765 /nfs/dbraw/zinc/49/47/65/383494765.db2.gz KZAAHODICQXGTL-UHFFFAOYSA-N 1 2 279.347 2.508 40 0 CFABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCN1C(C)=O ZINC000072213381 393643854 /nfs/dbraw/zinc/64/38/54/393643854.db2.gz VKTMJCIVPDCJQD-BXUZGUMPSA-N 1 2 261.369 2.975 40 0 CFABLO O[C@H](c1ccccc1)c1ccc(N2CCCC2)[nH+]c1 ZINC000072225433 393647463 /nfs/dbraw/zinc/64/74/63/393647463.db2.gz OTNJTKZZYSDUBM-MRXNPFEDSA-N 1 2 254.333 2.764 40 0 CFABLO CCOC(=O)[C@H]1CC=C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000396174523 397554285 /nfs/dbraw/zinc/55/42/85/397554285.db2.gz GNKZPXOJKHIUEM-DZGCQCFKSA-N 1 2 259.349 2.769 40 0 CFABLO CCOC(=O)[C@H]1CC=C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000396174523 397554287 /nfs/dbraw/zinc/55/42/87/397554287.db2.gz GNKZPXOJKHIUEM-DZGCQCFKSA-N 1 2 259.349 2.769 40 0 CFABLO O[C@](Cn1cc[nH+]c1)(c1cccnc1)C1CCCCC1 ZINC000018191447 296587528 /nfs/dbraw/zinc/58/75/28/296587528.db2.gz GYADUHIWAUEQFQ-INIZCTEOSA-N 1 2 271.364 2.746 40 0 CFABLO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)Cn1cc[nH+]c1)C2 ZINC000004812051 170021639 /nfs/dbraw/zinc/02/16/39/170021639.db2.gz LTZFOOADLRHJGF-YWPYICTPSA-N 1 2 262.353 2.641 40 0 CFABLO CCCC[C@@H](CC)CNc1[nH+]cnc2c1cnn2C ZINC000006379574 170196222 /nfs/dbraw/zinc/19/62/22/170196222.db2.gz CABSRUFGHXURKS-LLVKDONJSA-N 1 2 261.373 2.992 40 0 CFABLO Cc1[nH+]c([C@H]2CCCN(C(=O)C3CC3)C2)c2sccn12 ZINC000019240729 170758905 /nfs/dbraw/zinc/75/89/05/170758905.db2.gz QVIMGAQWOWEZSI-LBPRGKRZSA-N 1 2 289.404 2.820 40 0 CFABLO CCC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044853168 175266009 /nfs/dbraw/zinc/26/60/09/175266009.db2.gz LMHLZEDEBLHJHK-UHFFFAOYSA-N 1 2 271.364 2.850 40 0 CFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000044880724 175269395 /nfs/dbraw/zinc/26/93/95/175269395.db2.gz GCHUOPJJUKDGJU-UHFFFAOYSA-N 1 2 295.317 2.941 40 0 CFABLO CO[C@H]1CCOC2(C[NH+](Cc3ccccc3Cl)C2)C1 ZINC000247985325 277342756 /nfs/dbraw/zinc/34/27/56/277342756.db2.gz YUYBVILWDKOIFK-ZDUSSCGKSA-N 1 2 281.783 2.720 40 0 CFABLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257205891 279320801 /nfs/dbraw/zinc/32/08/01/279320801.db2.gz BAYYIEZLGPVXFX-MRXNPFEDSA-N 1 2 293.374 2.700 40 0 CFABLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257205891 279320807 /nfs/dbraw/zinc/32/08/07/279320807.db2.gz BAYYIEZLGPVXFX-MRXNPFEDSA-N 1 2 293.374 2.700 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)c1 ZINC000095533601 185007251 /nfs/dbraw/zinc/00/72/51/185007251.db2.gz JJCRHNJTMWCRJG-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000095533601 185007252 /nfs/dbraw/zinc/00/72/52/185007252.db2.gz JJCRHNJTMWCRJG-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccccc3)[nH]2)c1 ZINC000095533608 185007305 /nfs/dbraw/zinc/00/73/05/185007305.db2.gz VXRZQXMIKAIOOT-AWEZNQCLSA-N 1 2 280.331 2.528 40 0 CFABLO COCc1nn(C(C)C)c2c1CC[N@H+](Cc1ccco1)C2 ZINC000096058976 185079565 /nfs/dbraw/zinc/07/95/65/185079565.db2.gz BOUVEZLTANIXHV-UHFFFAOYSA-N 1 2 289.379 2.762 40 0 CFABLO COCc1nn(C(C)C)c2c1CC[N@@H+](Cc1ccco1)C2 ZINC000096058976 185079566 /nfs/dbraw/zinc/07/95/66/185079566.db2.gz BOUVEZLTANIXHV-UHFFFAOYSA-N 1 2 289.379 2.762 40 0 CFABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccs1 ZINC000131114587 136389061 /nfs/dbraw/zinc/38/90/61/136389061.db2.gz AKLKPARKVJGAIT-LBPRGKRZSA-N 1 2 287.388 2.542 40 0 CFABLO Cc1cc2[nH+]cn(Cn3nnc4ccccc43)c2cc1C ZINC000005798764 346212395 /nfs/dbraw/zinc/21/23/95/346212395.db2.gz RFMLZKFGIAAWOA-UHFFFAOYSA-N 1 2 277.331 2.904 40 0 CFABLO O=C(C[NH+]1Cc2ccccc2C1)Nc1ccccc1 ZINC000106304122 186107025 /nfs/dbraw/zinc/10/70/25/186107025.db2.gz XFRGZUPKVLKAHR-UHFFFAOYSA-N 1 2 252.317 2.641 40 0 CFABLO Fc1cccc(CNC(=S)Nc2cc[nH+]cc2)c1 ZINC000137858546 187901910 /nfs/dbraw/zinc/90/19/10/187901910.db2.gz BVYKMXZQDRFIJI-UHFFFAOYSA-N 1 2 261.325 2.707 40 0 CFABLO COc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329026574 202155849 /nfs/dbraw/zinc/15/58/49/202155849.db2.gz PNEOWSUUMVDMPC-UHFFFAOYSA-N 1 2 296.374 2.524 40 0 CFABLO CCOC(=O)[C@@H]1CC(C)=CC[N@@H+]1Cc1ccccc1 ZINC000196792525 540880482 /nfs/dbraw/zinc/88/04/82/540880482.db2.gz LYATWKHNENCBKK-HNNXBMFYSA-N 1 2 259.349 2.770 40 0 CFABLO CCOC(=O)[C@@H]1CC(C)=CC[N@H+]1Cc1ccccc1 ZINC000196792525 540880486 /nfs/dbraw/zinc/88/04/86/540880486.db2.gz LYATWKHNENCBKK-HNNXBMFYSA-N 1 2 259.349 2.770 40 0 CFABLO COC(=O)c1cccc(N2Cc3ccccc3C2=[NH2+])c1 ZINC000001514423 371679218 /nfs/dbraw/zinc/67/92/18/371679218.db2.gz KOXSSRKZPRZGND-UHFFFAOYSA-N 1 2 266.300 2.819 40 0 CFABLO CCc1c(C)[nH]c2ccc(C(=O)NCc3[nH+]ccn3C)cc21 ZINC000019520909 372172194 /nfs/dbraw/zinc/17/21/94/372172194.db2.gz NDTGZFWVZMUMOI-UHFFFAOYSA-N 1 2 296.374 2.702 40 0 CFABLO CC[C@H]1c2cccn2CCN1Cc1c[nH+]cn1CC ZINC000072389654 374249670 /nfs/dbraw/zinc/24/96/70/374249670.db2.gz QNJHCUIGMOKYLM-AWEZNQCLSA-N 1 2 258.369 2.671 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000072385501 374249854 /nfs/dbraw/zinc/24/98/54/374249854.db2.gz SDSGWDFYIRDIGT-LBPRGKRZSA-N 1 2 257.341 2.548 40 0 CFABLO Cc1cc([C@@H]2CCCN(c3cnccn3)C2)cc[nH+]1 ZINC000072380921 374246340 /nfs/dbraw/zinc/24/63/40/374246340.db2.gz IRHNWWOUIVWBES-CQSZACIVSA-N 1 2 254.337 2.564 40 0 CFABLO Cc1cc(C)nc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364086 374247478 /nfs/dbraw/zinc/24/74/78/374247478.db2.gz TVUXFSPIVOHUFU-CQSZACIVSA-N 1 2 283.379 2.576 40 0 CFABLO CC(C)Cn1cc(C[NH2+]Cc2ccn(C(C)C)n2)cn1 ZINC000256053744 190005065 /nfs/dbraw/zinc/00/50/65/190005065.db2.gz SQPSQKKQDSNDEB-UHFFFAOYSA-N 1 2 275.400 2.606 40 0 CFABLO Fc1ccc(F)c(C[NH2+]Cc2ccn(CC(F)F)n2)c1 ZINC000256050428 190002908 /nfs/dbraw/zinc/00/29/08/190002908.db2.gz DZLJEYLZDFKFOC-UHFFFAOYSA-N 1 2 287.260 2.716 40 0 CFABLO COc1ccccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052023 190003492 /nfs/dbraw/zinc/00/34/92/190003492.db2.gz LOPIDHYDEZIFJI-UHFFFAOYSA-N 1 2 267.279 2.577 40 0 CFABLO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256052402 190004394 /nfs/dbraw/zinc/00/43/94/190004394.db2.gz NDPPWNJQBXKDJE-UHFFFAOYSA-N 1 2 283.326 2.654 40 0 CFABLO COc1ccccc1CC(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257283145 190026310 /nfs/dbraw/zinc/02/63/10/190026310.db2.gz OWXAZQWFRRGITL-CQSZACIVSA-N 1 2 299.374 2.633 40 0 CFABLO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cscn2)ccn1 ZINC000257272631 190024682 /nfs/dbraw/zinc/02/46/82/190024682.db2.gz NDFFBLUAIJLTTM-AWEZNQCLSA-N 1 2 288.420 2.941 40 0 CFABLO CN(C)c1cc([C@@H]2CCC[N@H+]2Cc2cscn2)ccn1 ZINC000257272631 190024683 /nfs/dbraw/zinc/02/46/83/190024683.db2.gz NDFFBLUAIJLTTM-AWEZNQCLSA-N 1 2 288.420 2.941 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000257294405 190028828 /nfs/dbraw/zinc/02/88/28/190028828.db2.gz QTZJCIRZJRYNSZ-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000257294405 190028829 /nfs/dbraw/zinc/02/88/29/190028829.db2.gz QTZJCIRZJRYNSZ-CQSZACIVSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cccnc1C(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257326824 190034701 /nfs/dbraw/zinc/03/47/01/190034701.db2.gz WYTDANMAPPRXKI-MRXNPFEDSA-N 1 2 295.386 2.519 40 0 CFABLO Cc1cccnc1C(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257326824 190034702 /nfs/dbraw/zinc/03/47/02/190034702.db2.gz WYTDANMAPPRXKI-MRXNPFEDSA-N 1 2 295.386 2.519 40 0 CFABLO c1cn2ccc([C@H]3CCCC[N@H+]3Cc3cscn3)nc2n1 ZINC000257277183 383494694 /nfs/dbraw/zinc/49/46/94/383494694.db2.gz NWTSMUPGHPQHBJ-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO c1cn2ccc([C@H]3CCCC[N@@H+]3Cc3cscn3)nc2n1 ZINC000257277183 383494698 /nfs/dbraw/zinc/49/46/98/383494698.db2.gz NWTSMUPGHPQHBJ-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257319243 383494880 /nfs/dbraw/zinc/49/48/80/383494880.db2.gz VRMCJBOCYCLOGN-LBPRGKRZSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257319243 383494883 /nfs/dbraw/zinc/49/48/83/383494883.db2.gz VRMCJBOCYCLOGN-LBPRGKRZSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257319243 383494885 /nfs/dbraw/zinc/49/48/85/383494885.db2.gz VRMCJBOCYCLOGN-LBPRGKRZSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257319243 383494887 /nfs/dbraw/zinc/49/48/87/383494887.db2.gz VRMCJBOCYCLOGN-LBPRGKRZSA-N 1 2 262.382 2.902 40 0 CFABLO Cc1c(C[NH2+]Cc2csc(C3CCC3)n2)cnn1C ZINC000095093911 256745382 /nfs/dbraw/zinc/74/53/82/256745382.db2.gz AJIQVOFIBCJVQD-UHFFFAOYSA-N 1 2 276.409 2.742 40 0 CFABLO C[NH2+][C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000039322482 393539345 /nfs/dbraw/zinc/53/93/45/393539345.db2.gz YRLRVIREPVEFJA-MRXNPFEDSA-N 1 2 269.344 2.561 40 0 CFABLO OCC[C@@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000575423943 397584283 /nfs/dbraw/zinc/58/42/83/397584283.db2.gz HEHXFTQOYQQLIJ-QMMMGPOBSA-N 1 2 258.243 2.666 40 0 CFABLO Cc1nc(N)cc(-c2ccc(Br)cc2)[nH+]1 ZINC000044262486 175157490 /nfs/dbraw/zinc/15/74/90/175157490.db2.gz UABKEOAVOWCODV-UHFFFAOYSA-N 1 2 264.126 2.797 40 0 CFABLO CC(C)n1cnc2c1nc(Cl)nc2Nc1[nH]cc[nH+]1 ZINC000044909608 175275631 /nfs/dbraw/zinc/27/56/31/175275631.db2.gz GQOJQGVUSKBIEX-UHFFFAOYSA-N 1 2 277.719 2.527 40 0 CFABLO CC(=O)Nc1cc([N@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216864097 277063504 /nfs/dbraw/zinc/06/35/04/277063504.db2.gz XXFBWQUMHYVBHC-LLVKDONJSA-N 1 2 261.369 2.914 40 0 CFABLO CC(=O)Nc1cc([N@@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216864097 277063506 /nfs/dbraw/zinc/06/35/06/277063506.db2.gz XXFBWQUMHYVBHC-LLVKDONJSA-N 1 2 261.369 2.914 40 0 CFABLO FC(F)[C@@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013686858 294708425 /nfs/dbraw/zinc/70/84/25/294708425.db2.gz ARNKQLYWYANBBE-VIFPVBQESA-N 1 2 262.097 2.729 40 0 CFABLO CCNc1nc(Nc2c(C)cccc2C)cc(C2CC2)[nH+]1 ZINC000329057837 521731411 /nfs/dbraw/zinc/73/14/11/521731411.db2.gz WAUSUHDHUKNLFQ-UHFFFAOYSA-N 1 2 282.391 2.990 40 0 CFABLO Cc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1 ZINC000095534172 185006002 /nfs/dbraw/zinc/00/60/02/185006002.db2.gz BEDGFQNSIBRVNL-AWEZNQCLSA-N 1 2 282.322 2.967 40 0 CFABLO Cc1ccccc1-c1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533308 185006566 /nfs/dbraw/zinc/00/65/66/185006566.db2.gz YOGSIVLVMACFFZ-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO Cc1ccccc1-c1n[nH]c([C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533308 185006568 /nfs/dbraw/zinc/00/65/68/185006568.db2.gz YOGSIVLVMACFFZ-CQSZACIVSA-N 1 2 282.322 2.967 40 0 CFABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000095533717 185007425 /nfs/dbraw/zinc/00/74/25/185007425.db2.gz DVSIIOQRXVUXMO-HNNXBMFYSA-N 1 2 294.358 2.837 40 0 CFABLO [NH3+][C@@H](c1nc(COc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533240 185007469 /nfs/dbraw/zinc/00/74/69/185007469.db2.gz BQPHKLBDZHDQLS-OAHLLOKOSA-N 1 2 298.321 2.571 40 0 CFABLO CC(C)(C)c1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534018 185007663 /nfs/dbraw/zinc/00/76/63/185007663.db2.gz WVLFTEAMDBAMEG-SNVBAGLBSA-N 1 2 264.760 2.804 40 0 CFABLO CC(C)(C)c1nnc([C@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534018 185007664 /nfs/dbraw/zinc/00/76/64/185007664.db2.gz WVLFTEAMDBAMEG-SNVBAGLBSA-N 1 2 264.760 2.804 40 0 CFABLO CCOC[C@H]1C[N@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060371 185080897 /nfs/dbraw/zinc/08/08/97/185080897.db2.gz PAJDUFAVSMVEBV-GFCCVEGCSA-N 1 2 291.420 2.618 40 0 CFABLO CCOC[C@H]1C[N@@H+](Cc2cccs2)Cc2nn(C)cc21 ZINC000096060371 185080898 /nfs/dbraw/zinc/08/08/98/185080898.db2.gz PAJDUFAVSMVEBV-GFCCVEGCSA-N 1 2 291.420 2.618 40 0 CFABLO Cc1cc(N2CCC[C@@H](c3cc[nH+]c(C)c3)C2)ncn1 ZINC000257342300 136594877 /nfs/dbraw/zinc/59/48/77/136594877.db2.gz ZOBCSWKLORGAPX-OAHLLOKOSA-N 1 2 268.364 2.872 40 0 CFABLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111550 348734200 /nfs/dbraw/zinc/73/42/00/348734200.db2.gz VUULPUCVJAMPGJ-DZGCQCFKSA-N 1 2 295.386 2.591 40 0 CFABLO CC(C)Nc1cc(-c2cccnc2)[nH+]c(NC(C)(C)C)n1 ZINC000328966215 202132949 /nfs/dbraw/zinc/13/29/49/202132949.db2.gz CIWBYJTXQTUUSZ-UHFFFAOYSA-N 1 2 285.395 2.991 40 0 CFABLO CNc1nc(Nc2cccc(C)c2C)cc(C2CC2)[nH+]1 ZINC000328982528 202139742 /nfs/dbraw/zinc/13/97/42/202139742.db2.gz HBFVMUIYPABXHR-UHFFFAOYSA-N 1 2 268.364 2.600 40 0 CFABLO CC(C)Nc1nc(Nc2ccccc2F)cc(C2CC2)[nH+]1 ZINC000329016835 202154738 /nfs/dbraw/zinc/15/47/38/202154738.db2.gz NIIRHFVSDWACDR-UHFFFAOYSA-N 1 2 286.354 2.901 40 0 CFABLO CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)Cn1cc[nH+]c1)C2 ZINC000000507784 371631671 /nfs/dbraw/zinc/63/16/71/371631671.db2.gz LTZFOOADLRHJGF-SLEUVZQESA-N 1 2 262.353 2.641 40 0 CFABLO CCc1ccc(C[C@H]2c3ccccc3C[C@@H]2O)[nH+]c1 ZINC000001675105 371697059 /nfs/dbraw/zinc/69/70/59/371697059.db2.gz CGHPRNYVECJBLT-IRXDYDNUSA-N 1 2 253.345 2.887 40 0 CFABLO COc1ccc(CCn2c[nH+]cc2-c2cnn(C)c2)cc1C ZINC000019719519 372180953 /nfs/dbraw/zinc/18/09/53/372180953.db2.gz COOCNNVUZYSIRS-UHFFFAOYSA-N 1 2 296.374 2.843 40 0 CFABLO Cc1cccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)c1 ZINC000019234387 372151553 /nfs/dbraw/zinc/15/15/53/372151553.db2.gz MQPPTESFWSNYNI-XYOKQWHBSA-N 1 2 276.361 2.550 40 0 CFABLO OCC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000048065457 373142081 /nfs/dbraw/zinc/14/20/81/373142081.db2.gz SZEDNJXHYSQYBL-UHFFFAOYSA-N 1 2 260.164 2.950 40 0 CFABLO OCC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000048065457 373142087 /nfs/dbraw/zinc/14/20/87/373142087.db2.gz SZEDNJXHYSQYBL-UHFFFAOYSA-N 1 2 260.164 2.950 40 0 CFABLO O=C(OCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000074925174 374447004 /nfs/dbraw/zinc/44/70/04/374447004.db2.gz OAXAGTXVFDXLOU-UHFFFAOYSA-N 1 2 297.358 2.540 40 0 CFABLO CCCn1ccc(C[NH2+]Cc2cnn(C3CCCC3)c2)n1 ZINC000256050961 190003999 /nfs/dbraw/zinc/00/39/99/190003999.db2.gz HEUUQNXGRZAEON-UHFFFAOYSA-N 1 2 287.411 2.895 40 0 CFABLO CNc1cccc([C@@H]2C[N@H+](Cc3cccs3)CCO2)n1 ZINC000257200468 190010988 /nfs/dbraw/zinc/01/09/88/190010988.db2.gz ADLXXQDOAIHYNV-AWEZNQCLSA-N 1 2 289.404 2.758 40 0 CFABLO CNc1cccc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)n1 ZINC000257200468 190010989 /nfs/dbraw/zinc/01/09/89/190010989.db2.gz ADLXXQDOAIHYNV-AWEZNQCLSA-N 1 2 289.404 2.758 40 0 CFABLO CCc1noc(C)c1C(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257209289 190011944 /nfs/dbraw/zinc/01/19/44/190011944.db2.gz BPTXAUDKMIADQK-LBPRGKRZSA-N 1 2 288.351 2.554 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257227858 190016111 /nfs/dbraw/zinc/01/61/11/190016111.db2.gz FRGKWOFQGFBMBM-LLVKDONJSA-N 1 2 275.377 2.799 40 0 CFABLO c1csc(C[N@@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)n1 ZINC000257237488 190017639 /nfs/dbraw/zinc/01/76/39/190017639.db2.gz HGRLRNCRUFDSDO-CYBMUJFWSA-N 1 2 299.403 2.913 40 0 CFABLO c1csc(C[N@H+]2CCCC[C@@H]2c2ccn3ccnc3n2)n1 ZINC000257237488 190017640 /nfs/dbraw/zinc/01/76/40/190017640.db2.gz HGRLRNCRUFDSDO-CYBMUJFWSA-N 1 2 299.403 2.913 40 0 CFABLO c1cc([C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257287946 190027137 /nfs/dbraw/zinc/02/71/37/190027137.db2.gz PSDSMKOVEHPFMW-AWEZNQCLSA-N 1 2 278.359 2.947 40 0 CFABLO c1cc([C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]n1 ZINC000257287946 190027138 /nfs/dbraw/zinc/02/71/38/190027138.db2.gz PSDSMKOVEHPFMW-AWEZNQCLSA-N 1 2 278.359 2.947 40 0 CFABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2CC2CC2)c1 ZINC000257273165 190024416 /nfs/dbraw/zinc/02/44/16/190024416.db2.gz NFNFJMCFOMOEED-MRXNPFEDSA-N 1 2 283.375 2.859 40 0 CFABLO COc1cccc([C@H]2Cn3ccnc3C[N@@H+]2CC2CC2)c1 ZINC000257273165 190024417 /nfs/dbraw/zinc/02/44/17/190024417.db2.gz NFNFJMCFOMOEED-MRXNPFEDSA-N 1 2 283.375 2.859 40 0 CFABLO COc1cccc([C@H]2Cn3ccnc3C[N@H+]2CC2CC2)c1 ZINC000257273165 190024418 /nfs/dbraw/zinc/02/44/18/190024418.db2.gz NFNFJMCFOMOEED-MRXNPFEDSA-N 1 2 283.375 2.859 40 0 CFABLO CCc1ccc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257298978 190029464 /nfs/dbraw/zinc/02/94/64/190029464.db2.gz ROEFQCRVFPWGRR-OAHLLOKOSA-N 1 2 283.375 2.910 40 0 CFABLO Cc1nc(N2CCC[C@@H]2CCc2ccncc2)cc[nH+]1 ZINC000257302216 190030399 /nfs/dbraw/zinc/03/03/99/190030399.db2.gz SBZDZJFPLHHXFM-OAHLLOKOSA-N 1 2 268.364 2.782 40 0 CFABLO COc1ccc(C[C@@H]2C[N@H+](Cc3cccnc3)CCO2)cc1 ZINC000257309657 190030995 /nfs/dbraw/zinc/03/09/95/190030995.db2.gz UBVYKBRCSHBFEC-GOSISDBHSA-N 1 2 298.386 2.534 40 0 CFABLO COc1ccc(C[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)cc1 ZINC000257309657 190030996 /nfs/dbraw/zinc/03/09/96/190030996.db2.gz UBVYKBRCSHBFEC-GOSISDBHSA-N 1 2 298.386 2.534 40 0 CFABLO Cc1cc(CC2CCN(C(=O)c3ccccn3)CC2)cc[nH+]1 ZINC000257318557 190033354 /nfs/dbraw/zinc/03/33/54/190033354.db2.gz VOLIZQMXTZPBBB-UHFFFAOYSA-N 1 2 295.386 2.880 40 0 CFABLO c1cn2ccc([C@@H]3CCCC[N@H+]3Cc3cncs3)nc2n1 ZINC000257323205 190033936 /nfs/dbraw/zinc/03/39/36/190033936.db2.gz WJDZKVUZWSDYHI-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO c1cn2ccc([C@@H]3CCCC[N@@H+]3Cc3cncs3)nc2n1 ZINC000257323205 190033937 /nfs/dbraw/zinc/03/39/37/190033937.db2.gz WJDZKVUZWSDYHI-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257324191 190034058 /nfs/dbraw/zinc/03/40/58/190034058.db2.gz WNQAADRPBBINQJ-GFCCVEGCSA-N 1 2 276.409 2.565 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257324191 190034059 /nfs/dbraw/zinc/03/40/59/190034059.db2.gz WNQAADRPBBINQJ-GFCCVEGCSA-N 1 2 276.409 2.565 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257326213 190034192 /nfs/dbraw/zinc/03/41/92/190034192.db2.gz WWHPMFUGGGDJPG-HNNXBMFYSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccc(C(=O)[O-])c3)C2)[nH+]1 ZINC000257326213 190034193 /nfs/dbraw/zinc/03/41/93/190034193.db2.gz WWHPMFUGGGDJPG-HNNXBMFYSA-N 1 2 299.374 2.796 40 0 CFABLO Cc1csc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257342893 190037674 /nfs/dbraw/zinc/03/76/74/190037674.db2.gz ZQNBZHMECXXCAF-LLVKDONJSA-N 1 2 275.377 2.718 40 0 CFABLO CCOC(=[NH2+])c1ccc(I)cc1 ZINC000143845377 378245269 /nfs/dbraw/zinc/24/52/69/378245269.db2.gz DPLFKSMEIUHZHA-UHFFFAOYSA-N 1 2 275.089 2.653 40 0 CFABLO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000257334449 383494372 /nfs/dbraw/zinc/49/43/72/383494372.db2.gz YFYAVNISTGANEG-HNNXBMFYSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)n1 ZINC000257334449 383494380 /nfs/dbraw/zinc/49/43/80/383494380.db2.gz YFYAVNISTGANEG-HNNXBMFYSA-N 1 2 256.353 2.840 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000257299401 383495205 /nfs/dbraw/zinc/49/52/05/383495205.db2.gz RPYHVEURLLZUKK-CQSZACIVSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000257299401 383495210 /nfs/dbraw/zinc/49/52/10/383495210.db2.gz RPYHVEURLLZUKK-CQSZACIVSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000257299401 383495215 /nfs/dbraw/zinc/49/52/15/383495215.db2.gz RPYHVEURLLZUKK-CQSZACIVSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000257299401 383495217 /nfs/dbraw/zinc/49/52/17/383495217.db2.gz RPYHVEURLLZUKK-CQSZACIVSA-N 1 2 271.368 2.544 40 0 CFABLO OCCc1ccc(N2CCCc3ccccc32)[nH+]c1 ZINC000072225799 256703501 /nfs/dbraw/zinc/70/35/01/256703501.db2.gz FBFJHLXJFMIABY-UHFFFAOYSA-N 1 2 254.333 2.701 40 0 CFABLO Cc1cc(CCNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000072206898 393642238 /nfs/dbraw/zinc/64/22/38/393642238.db2.gz OAUDCHYEXHQUQC-UHFFFAOYSA-N 1 2 250.342 2.766 40 0 CFABLO CCCNc1ccc([C@@H]2CCCCN2C(C)=O)c[nH+]1 ZINC000072213228 393643394 /nfs/dbraw/zinc/64/33/94/393643394.db2.gz BSLBGDUNDYNZRE-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO CCCCNc1ccc([C@H]2CCCN2C(C)=O)c[nH+]1 ZINC000072213652 393645378 /nfs/dbraw/zinc/64/53/78/393645378.db2.gz HFDBGJQQGWYMFT-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCC1 ZINC000038832707 174157549 /nfs/dbraw/zinc/15/75/49/174157549.db2.gz SINNXHUCMZYYCA-UHFFFAOYSA-N 1 2 269.348 2.558 40 0 CFABLO Nc1cc(-c2ccccc2)[nH+]cc1I ZINC000071254836 176095595 /nfs/dbraw/zinc/09/55/95/176095595.db2.gz LZEFSSQKORZBRP-UHFFFAOYSA-N 1 2 296.111 2.935 40 0 CFABLO CCOc1cc(C)ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000072414386 176399071 /nfs/dbraw/zinc/39/90/71/176399071.db2.gz UHWKCYCIGIXAHX-UHFFFAOYSA-N 1 2 292.360 2.590 40 0 CFABLO CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc[nH+]1 ZINC000329003944 277302279 /nfs/dbraw/zinc/30/22/79/277302279.db2.gz KPLSIBPMENZYHV-UHFFFAOYSA-N 1 2 268.364 2.816 40 0 CFABLO CNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]cn1 ZINC000329003944 277302281 /nfs/dbraw/zinc/30/22/81/277302281.db2.gz KPLSIBPMENZYHV-UHFFFAOYSA-N 1 2 268.364 2.816 40 0 CFABLO C[N@@H+]1C[C@@H]2CCCC3=C2N(C1)C(=S)NC31CCCCC1 ZINC000004558208 290279172 /nfs/dbraw/zinc/27/91/72/290279172.db2.gz LRLIONYJNZLUDC-LBPRGKRZSA-N 1 2 291.464 2.837 40 0 CFABLO C[N@H+]1C[C@@H]2CCCC3=C2N(C1)C(=S)NC31CCCCC1 ZINC000004558208 290279176 /nfs/dbraw/zinc/27/91/76/290279176.db2.gz LRLIONYJNZLUDC-LBPRGKRZSA-N 1 2 291.464 2.837 40 0 CFABLO CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc[nH+]1 ZINC000329013104 535522300 /nfs/dbraw/zinc/52/23/00/535522300.db2.gz MOSWOQRLULTQQC-LBPRGKRZSA-N 1 2 298.390 2.524 40 0 CFABLO CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]cn1 ZINC000329013104 535522304 /nfs/dbraw/zinc/52/23/04/535522304.db2.gz MOSWOQRLULTQQC-LBPRGKRZSA-N 1 2 298.390 2.524 40 0 CFABLO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c2c(N)cccc12 ZINC000685938018 545575452 /nfs/dbraw/zinc/57/54/52/545575452.db2.gz GWPWSJWLRMFANT-RYUDHWBXSA-N 1 2 271.364 2.739 40 0 CFABLO CC[C@H](C)Nc1nc(Nc2cccc(O)c2)cc(C2CC2)[nH+]1 ZINC000329065661 570337964 /nfs/dbraw/zinc/33/79/64/570337964.db2.gz XTJGNLCPSUUHQI-NSHDSACASA-N 1 2 298.390 2.857 40 0 CFABLO [NH3+][C@@H](c1nnc(-c2cccc(F)c2)[nH]1)c1ccccc1 ZINC000095533471 185006126 /nfs/dbraw/zinc/00/61/26/185006126.db2.gz GXZVMTZKSWAEFG-CYBMUJFWSA-N 1 2 268.295 2.659 40 0 CFABLO [NH3+][C@@H](c1n[nH]c(-c2cccc(F)c2)n1)c1ccccc1 ZINC000095533471 185006128 /nfs/dbraw/zinc/00/61/28/185006128.db2.gz GXZVMTZKSWAEFG-CYBMUJFWSA-N 1 2 268.295 2.659 40 0 CFABLO [NH3+][C@H](c1nnc(-c2cccc(F)c2)[nH]1)c1ccccc1 ZINC000095533470 185006282 /nfs/dbraw/zinc/00/62/82/185006282.db2.gz GXZVMTZKSWAEFG-ZDUSSCGKSA-N 1 2 268.295 2.659 40 0 CFABLO [NH3+][C@H](c1n[nH]c(-c2cccc(F)c2)n1)c1ccccc1 ZINC000095533470 185006284 /nfs/dbraw/zinc/00/62/84/185006284.db2.gz GXZVMTZKSWAEFG-ZDUSSCGKSA-N 1 2 268.295 2.659 40 0 CFABLO C[C@@H]([NH3+])c1nnc(COc2ccc(C(C)(C)C)cc2)[nH]1 ZINC000095534673 185007299 /nfs/dbraw/zinc/00/72/99/185007299.db2.gz ICTRETXBXYCSLL-SNVBAGLBSA-N 1 2 274.368 2.701 40 0 CFABLO O=C(c1ccco1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060978 185083428 /nfs/dbraw/zinc/08/34/28/185083428.db2.gz ILWPFGHSWNETQL-UHFFFAOYSA-N 1 2 297.358 2.547 40 0 CFABLO C[N@@H+]1CCC[C@@H]1COc1ccc(C=O)cc1Br ZINC000386683382 348536166 /nfs/dbraw/zinc/53/61/66/348536166.db2.gz XTXYNZUQFPGECZ-LLVKDONJSA-N 1 2 298.180 2.735 40 0 CFABLO C[N@H+]1CCC[C@@H]1COc1ccc(C=O)cc1Br ZINC000386683382 348536168 /nfs/dbraw/zinc/53/61/68/348536168.db2.gz XTXYNZUQFPGECZ-LLVKDONJSA-N 1 2 298.180 2.735 40 0 CFABLO CNc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329003470 202145862 /nfs/dbraw/zinc/14/58/62/202145862.db2.gz KNUQTUVMTTWHDW-UHFFFAOYSA-N 1 2 292.745 2.776 40 0 CFABLO CCCC[NH+](CCCC)CC(=O)NC(=O)c1ccccc1 ZINC000001713434 371701576 /nfs/dbraw/zinc/70/15/76/371701576.db2.gz SBMAQROATWBXAT-UHFFFAOYSA-N 1 2 290.407 2.845 40 0 CFABLO Cn1cc(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000003873275 371820096 /nfs/dbraw/zinc/82/00/96/371820096.db2.gz NTHPAPBPFQJABD-NSHDSACASA-N 1 2 279.343 2.889 40 0 in-vitro CFABLO Cn1cc(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000003873275 371820106 /nfs/dbraw/zinc/82/01/06/371820106.db2.gz NTHPAPBPFQJABD-NSHDSACASA-N 1 2 279.343 2.889 40 0 in-vitro CFABLO CCn1cc(-c2c[nH+]cn2C[C@@H](C)n2nc(C)cc2C)cn1 ZINC000019719624 372179990 /nfs/dbraw/zinc/17/99/90/372179990.db2.gz QNBBZRFRXAKJTO-CQSZACIVSA-N 1 2 298.394 2.841 40 0 CFABLO Cc1c2cc(F)ccc2oc1C(=O)NCc1[nH+]ccn1C ZINC000019565646 372174089 /nfs/dbraw/zinc/17/40/89/372174089.db2.gz BCFCOJDOCAFZHU-UHFFFAOYSA-N 1 2 287.294 2.544 40 0 CFABLO O=C(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000027347188 372339120 /nfs/dbraw/zinc/33/91/20/372339120.db2.gz MFEJFAWVQXBYRU-SFHVURJKSA-N 1 2 295.382 2.985 40 0 CFABLO Nc1cc(-n2cnnc2)ccc1[NH2+]C1CCCCC1 ZINC000070461781 374183528 /nfs/dbraw/zinc/18/35/28/374183528.db2.gz DQQYVNPLTKJVFW-UHFFFAOYSA-N 1 2 257.341 2.594 40 0 CFABLO CC(=O)N1CC[N@@H+](C)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367711 374247045 /nfs/dbraw/zinc/24/70/45/374247045.db2.gz HYIHORQNEINFGR-ZDUSSCGKSA-N 1 2 286.297 2.540 40 0 CFABLO CC(=O)N1CC[N@H+](C)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367711 374247054 /nfs/dbraw/zinc/24/70/54/374247054.db2.gz HYIHORQNEINFGR-ZDUSSCGKSA-N 1 2 286.297 2.540 40 0 CFABLO CCO[C@@H]1CCN(c2cccc[nH+]2)[C@@H]1Cc1cccnc1 ZINC000096200498 375477089 /nfs/dbraw/zinc/47/70/89/375477089.db2.gz VEGMVZCDOIENQQ-HZPDHXFCSA-N 1 2 283.375 2.703 40 0 CFABLO CCCn1cc(C[NH2+]Cc2ccn(CC(C)C)n2)c(C)n1 ZINC000256049505 190002626 /nfs/dbraw/zinc/00/26/26/190002626.db2.gz AGDMEAMSIPXIHE-UHFFFAOYSA-N 1 2 289.427 2.744 40 0 CFABLO CC[C@H](C)n1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050063 190002826 /nfs/dbraw/zinc/00/28/26/190002826.db2.gz CMMBYUUMOATFDO-NSHDSACASA-N 1 2 297.353 2.606 40 0 CFABLO COc1ccccc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256050716 190003399 /nfs/dbraw/zinc/00/33/99/190003399.db2.gz GFMUYJZOWKHLHK-UHFFFAOYSA-N 1 2 273.380 2.838 40 0 CFABLO Cc1c(C[NH2+]Cc2ccn(C(C)C)n2)cnn1CC(F)F ZINC000256051344 190003807 /nfs/dbraw/zinc/00/38/07/190003807.db2.gz IUAZDXRGKCAKHD-UHFFFAOYSA-N 1 2 297.353 2.524 40 0 CFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(C)s3)C2)[nH+]1 ZINC000257253856 190020818 /nfs/dbraw/zinc/02/08/18/190020818.db2.gz KANPJGCFUWJZBT-LBPRGKRZSA-N 1 2 289.404 2.728 40 0 CFABLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cncc(C)n2)cs1 ZINC000257248880 190020305 /nfs/dbraw/zinc/02/03/05/190020305.db2.gz JFQRACBVGPPDAV-CQSZACIVSA-N 1 2 274.393 2.887 40 0 CFABLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cncc(C)n2)cs1 ZINC000257248880 190020306 /nfs/dbraw/zinc/02/03/06/190020306.db2.gz JFQRACBVGPPDAV-CQSZACIVSA-N 1 2 274.393 2.887 40 0 CFABLO COC(=[NH2+])c1ccc(C)c(I)c1 ZINC000104152551 375770439 /nfs/dbraw/zinc/77/04/39/375770439.db2.gz SSGPASYYAAAPFE-UHFFFAOYSA-N 1 2 275.089 2.571 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257284756 190026232 /nfs/dbraw/zinc/02/62/32/190026232.db2.gz PEEKKGGUBSKORB-AWEZNQCLSA-N 1 2 287.411 2.642 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257284756 190026233 /nfs/dbraw/zinc/02/62/33/190026233.db2.gz PEEKKGGUBSKORB-AWEZNQCLSA-N 1 2 287.411 2.642 40 0 CFABLO CC(C)C(=O)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000257307534 190031510 /nfs/dbraw/zinc/03/15/10/190031510.db2.gz SZCQAOGGLQAFCK-ZDUSSCGKSA-N 1 2 257.337 2.654 40 0 CFABLO O=C(c1ccccn1)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000257321059 190033339 /nfs/dbraw/zinc/03/33/39/190033339.db2.gz VZXNNRDSUYUHPV-OAHLLOKOSA-N 1 2 292.342 2.707 40 0 CFABLO CCCCc1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c[nH]1 ZINC000257323988 190034073 /nfs/dbraw/zinc/03/40/73/190034073.db2.gz WMSALHCCZNVNFZ-ZDUSSCGKSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c[nH]1 ZINC000257323988 190034074 /nfs/dbraw/zinc/03/40/74/190034074.db2.gz WMSALHCCZNVNFZ-ZDUSSCGKSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1ncc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000257323988 190034075 /nfs/dbraw/zinc/03/40/75/190034075.db2.gz WMSALHCCZNVNFZ-ZDUSSCGKSA-N 1 2 287.411 2.855 40 0 CFABLO CCCCc1ncc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000257323988 190034076 /nfs/dbraw/zinc/03/40/76/190034076.db2.gz WMSALHCCZNVNFZ-ZDUSSCGKSA-N 1 2 287.411 2.855 40 0 CFABLO Cc1noc(C)c1-c1cccc(C[C@H]2CC[NH2+]C2)n1 ZINC000257324822 190034381 /nfs/dbraw/zinc/03/43/81/190034381.db2.gz WQIRUXPHJCJOBM-GFCCVEGCSA-N 1 2 257.337 2.505 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000257336892 190036332 /nfs/dbraw/zinc/03/63/32/190036332.db2.gz YQMIKXCZMRQVHP-ZDUSSCGKSA-N 1 2 261.369 2.962 40 0 CFABLO CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000329029810 378447393 /nfs/dbraw/zinc/44/73/93/378447393.db2.gz QBVJQASSVXIBPH-GFCCVEGCSA-N 1 2 268.364 2.860 40 0 CFABLO CCNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]cn1 ZINC000329029810 378447398 /nfs/dbraw/zinc/44/73/98/378447398.db2.gz QBVJQASSVXIBPH-GFCCVEGCSA-N 1 2 268.364 2.860 40 0 CFABLO CCOC(=O)[C@H]1C=C(F)C[N@@H+](Cc2ccccc2)C1 ZINC000169805797 379111213 /nfs/dbraw/zinc/11/12/13/379111213.db2.gz OSXMBAILJGXLEW-ZDUSSCGKSA-N 1 2 263.312 2.535 40 0 CFABLO CCOC(=O)[C@H]1C=C(F)C[N@H+](Cc2ccccc2)C1 ZINC000169805797 379111219 /nfs/dbraw/zinc/11/12/19/379111219.db2.gz OSXMBAILJGXLEW-ZDUSSCGKSA-N 1 2 263.312 2.535 40 0 CFABLO c1coc(-c2cnc3n2CC[N@@H+](Cc2cccnc2)C3)c1 ZINC000306144539 382453574 /nfs/dbraw/zinc/45/35/74/382453574.db2.gz ZIDHUEYBMSHUNA-UHFFFAOYSA-N 1 2 280.331 2.554 40 0 CFABLO c1coc(-c2cnc3n2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000306144539 382453576 /nfs/dbraw/zinc/45/35/76/382453576.db2.gz ZIDHUEYBMSHUNA-UHFFFAOYSA-N 1 2 280.331 2.554 40 0 CFABLO CCOc1ccccc1CNC(=S)Nc1cc[nH+]cc1 ZINC000225444233 382816327 /nfs/dbraw/zinc/81/63/27/382816327.db2.gz RROMSULAFSSXIY-UHFFFAOYSA-N 1 2 287.388 2.967 40 0 CFABLO CCO[C@@H]1CCOC2(C[NH+](Cc3sccc3C)C2)C1 ZINC000253599625 383464032 /nfs/dbraw/zinc/46/40/32/383464032.db2.gz RVIRLEAIEOHGDO-CYBMUJFWSA-N 1 2 281.421 2.826 40 0 CFABLO Cc1cc(N2CCC(c3cc[nH+]c(C)c3)CC2)ncn1 ZINC000257215086 383493665 /nfs/dbraw/zinc/49/36/65/383493665.db2.gz COQRRZJDNDIMGR-UHFFFAOYSA-N 1 2 268.364 2.872 40 0 CFABLO Cc1cnc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257249568 383493750 /nfs/dbraw/zinc/49/37/50/383493750.db2.gz JIXNYSJOPRQTGJ-LBPRGKRZSA-N 1 2 274.393 2.934 40 0 CFABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1CO ZINC000072223909 256705308 /nfs/dbraw/zinc/70/53/08/256705308.db2.gz NCOHPKIIMCDXCP-UHFFFAOYSA-N 1 2 254.333 2.967 40 0 CFABLO Cc1cc([C@H]2CCCCN2C=O)c[nH+]c1N1CCCC1 ZINC000072218833 393645059 /nfs/dbraw/zinc/64/50/59/393645059.db2.gz VOYPZQNYSIRYDB-OAHLLOKOSA-N 1 2 273.380 2.674 40 0 CFABLO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215956 393645403 /nfs/dbraw/zinc/64/54/03/393645403.db2.gz RSMHRRMSTDLNNJ-OAHLLOKOSA-N 1 2 273.380 2.755 40 0 CFABLO CCCCNc1ccc([C@H]2CCCCN2C=O)c[nH+]1 ZINC000072213691 393645445 /nfs/dbraw/zinc/64/54/45/393645445.db2.gz JEJOJAQFUAEDFW-CQSZACIVSA-N 1 2 261.369 2.977 40 0 CFABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1CCO ZINC000072225000 393647771 /nfs/dbraw/zinc/64/77/71/393647771.db2.gz RFQFFWMOVDUUOG-UHFFFAOYSA-N 1 2 254.333 2.619 40 0 CFABLO COCC[C@H]1Cn2cccc2C[N@H+](Cc2nccs2)C1 ZINC000585094655 395100259 /nfs/dbraw/zinc/10/02/59/395100259.db2.gz QXUYTCGBBMKJAJ-CYBMUJFWSA-N 1 2 291.420 2.613 40 0 CFABLO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2nccs2)C1 ZINC000585094655 395100263 /nfs/dbraw/zinc/10/02/63/395100263.db2.gz QXUYTCGBBMKJAJ-CYBMUJFWSA-N 1 2 291.420 2.613 40 0 CFABLO OCC[C@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000575423942 397584297 /nfs/dbraw/zinc/58/42/97/397584297.db2.gz HEHXFTQOYQQLIJ-MRVPVSSYSA-N 1 2 258.243 2.666 40 0 CFABLO CCC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038859507 174157946 /nfs/dbraw/zinc/15/79/46/174157946.db2.gz CQOMDLMODWQTEM-ZDUSSCGKSA-N 1 2 271.364 2.850 40 0 CFABLO COC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000040165637 174197443 /nfs/dbraw/zinc/19/74/43/174197443.db2.gz AVIQGZXFFSMHMB-UHFFFAOYSA-N 1 2 296.436 2.826 40 0 CFABLO COCCCn1c2cc(Cl)ccc2[nH+]c1CCCO ZINC000040402792 174253583 /nfs/dbraw/zinc/25/35/83/174253583.db2.gz LRRCWNGBEMIMIU-UHFFFAOYSA-N 1 2 282.771 2.651 40 0 CFABLO CCN(CC)c1ccc(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072225253 176343349 /nfs/dbraw/zinc/34/33/49/176343349.db2.gz YRJJHYCUGNSXDJ-UHFFFAOYSA-N 1 2 279.384 2.953 40 0 CFABLO CC[N@@H+]1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000072384593 176388568 /nfs/dbraw/zinc/38/85/68/176388568.db2.gz LWNILVUZLKMVLU-CYBMUJFWSA-N 1 2 298.394 2.784 40 0 CFABLO CC[N@H+]1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000072384593 176388569 /nfs/dbraw/zinc/38/85/69/176388569.db2.gz LWNILVUZLKMVLU-CYBMUJFWSA-N 1 2 298.394 2.784 40 0 CFABLO C=Cc1c[nH+]c2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C ZINC000261507806 275753713 /nfs/dbraw/zinc/75/37/13/275753713.db2.gz MNBNCLSVHZDMOK-SNVBAGLBSA-N 1 2 263.341 2.838 40 0 CFABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000066319067 278388406 /nfs/dbraw/zinc/38/84/06/278388406.db2.gz XOMXAOIKQASKRJ-JTQLQIEISA-N 1 2 251.330 2.872 40 0 CFABLO Nc1ncc2c(n1)-c1ccccc1O[C@H]2[NH+]1CCCCC1 ZINC000067957579 295371728 /nfs/dbraw/zinc/37/17/28/295371728.db2.gz OKSNODVNMLYPCC-OAHLLOKOSA-N 1 2 282.347 2.603 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(CC)nc21 ZINC000096059898 185081407 /nfs/dbraw/zinc/08/14/07/185081407.db2.gz RPDOSMPHINPANM-AWEZNQCLSA-N 1 2 289.379 2.632 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC)nc21 ZINC000096059898 185081408 /nfs/dbraw/zinc/08/14/08/185081408.db2.gz RPDOSMPHINPANM-AWEZNQCLSA-N 1 2 289.379 2.632 40 0 CFABLO CCCCNC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000006648429 346215268 /nfs/dbraw/zinc/21/52/68/346215268.db2.gz LQQMGSMLMMJBAN-UHFFFAOYSA-N 1 2 260.381 2.535 40 0 CFABLO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000108928821 186237465 /nfs/dbraw/zinc/23/74/65/186237465.db2.gz ONTYSXQODAKECR-SDDRHHMPSA-N 1 2 296.798 2.776 40 0 CFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1 ZINC000329003358 202147077 /nfs/dbraw/zinc/14/70/77/202147077.db2.gz KLOJWFZLXCGGOR-LBPRGKRZSA-N 1 2 298.390 2.621 40 0 CFABLO CCNc1cc(-c2ccncc2)[nH+]c(NC(C)(C)C)n1 ZINC000329013586 202152557 /nfs/dbraw/zinc/15/25/57/202152557.db2.gz MQVXCWSWWLFFAB-UHFFFAOYSA-N 1 2 271.368 2.603 40 0 CFABLO C[C@@H]1CN(c2ccc3cccc(O)c3[nH+]2)C[C@H](C)O1 ZINC000041669552 372857504 /nfs/dbraw/zinc/85/75/04/372857504.db2.gz MANYOXWVVOSUSO-PHIMTYICSA-N 1 2 258.321 2.554 40 0 CFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccs1 ZINC000048926933 373230709 /nfs/dbraw/zinc/23/07/09/373230709.db2.gz IGUHBRSMSYJRJZ-UHFFFAOYSA-N 1 2 283.356 2.864 40 0 CFABLO CCSc1nc(Nc2ccccc2OC)cc(N)[nH+]1 ZINC000049467538 373299247 /nfs/dbraw/zinc/29/92/47/373299247.db2.gz NIZNWAJVPFTEQF-UHFFFAOYSA-N 1 2 276.365 2.923 40 0 CFABLO COc1ccc(C)cc1Nc1cc(N)nc(C2CC2)[nH+]1 ZINC000049467659 373299732 /nfs/dbraw/zinc/29/97/32/373299732.db2.gz STYLQHJMIROMGO-UHFFFAOYSA-N 1 2 270.336 2.997 40 0 CFABLO COc1ccc(Nc2cc(N)[nH+]c(C3CC3)n2)c(OC)c1 ZINC000049467666 373301188 /nfs/dbraw/zinc/30/11/88/373301188.db2.gz AVVHGZLVTVJKBU-UHFFFAOYSA-N 1 2 286.335 2.697 40 0 CFABLO COc1ccc(Nc2cc(N)nc(C3CC3)[nH+]2)c(OC)c1 ZINC000049467666 373301197 /nfs/dbraw/zinc/30/11/97/373301197.db2.gz AVVHGZLVTVJKBU-UHFFFAOYSA-N 1 2 286.335 2.697 40 0 CFABLO COCCc1nc(Nc2cccc(Cl)c2)cc(N)[nH+]1 ZINC000049467710 373301282 /nfs/dbraw/zinc/30/12/82/373301282.db2.gz ZALRIEIIHQRVNW-UHFFFAOYSA-N 1 2 278.743 2.645 40 0 CFABLO COCCc1nc(N)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000049467710 373301289 /nfs/dbraw/zinc/30/12/89/373301289.db2.gz ZALRIEIIHQRVNW-UHFFFAOYSA-N 1 2 278.743 2.645 40 0 CFABLO CC(C)(C)OC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000095083502 375408579 /nfs/dbraw/zinc/40/85/79/375408579.db2.gz KGXSQCMINSKVCR-UHFFFAOYSA-N 1 2 277.368 2.893 40 0 CFABLO c1ccn(Cc2noc3c2C[N@H+](Cc2ccoc2)CC3)c1 ZINC000096259756 375481890 /nfs/dbraw/zinc/48/18/90/375481890.db2.gz JLTXDOAGVZXRMG-UHFFFAOYSA-N 1 2 283.331 2.676 40 0 CFABLO c1ccn(Cc2noc3c2C[N@@H+](Cc2ccoc2)CC3)c1 ZINC000096259756 375481897 /nfs/dbraw/zinc/48/18/97/375481897.db2.gz JLTXDOAGVZXRMG-UHFFFAOYSA-N 1 2 283.331 2.676 40 0 CFABLO Cc1nc(NC(C)C)nc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096253909 375482448 /nfs/dbraw/zinc/48/24/48/375482448.db2.gz IYJYMIDMOOIAOR-UHFFFAOYSA-N 1 2 297.406 2.559 40 0 CFABLO Cc1nc(NC(C)C)nc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096253909 375482451 /nfs/dbraw/zinc/48/24/51/375482451.db2.gz IYJYMIDMOOIAOR-UHFFFAOYSA-N 1 2 297.406 2.559 40 0 CFABLO CCCn1nc(C)cc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256053950 190004821 /nfs/dbraw/zinc/00/48/21/190004821.db2.gz UHUDBUHEANMUSL-UHFFFAOYSA-N 1 2 289.427 2.744 40 0 CFABLO c1cc2nc([C@H]3CCCC[N@H+]3Cc3cscn3)ccn2n1 ZINC000257201954 190010779 /nfs/dbraw/zinc/01/07/79/190010779.db2.gz AJUJOXQEJFRMNM-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO c1cc2nc([C@H]3CCCC[N@@H+]3Cc3cscn3)ccn2n1 ZINC000257201954 190010780 /nfs/dbraw/zinc/01/07/80/190010780.db2.gz AJUJOXQEJFRMNM-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC000257205890 190011278 /nfs/dbraw/zinc/01/12/78/190011278.db2.gz BAYYIEZLGPVXFX-INIZCTEOSA-N 1 2 293.374 2.700 40 0 CFABLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC000257205890 190011279 /nfs/dbraw/zinc/01/12/79/190011279.db2.gz BAYYIEZLGPVXFX-INIZCTEOSA-N 1 2 293.374 2.700 40 0 CFABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc(C)c3)C2)[nH+]1 ZINC000257225545 190015433 /nfs/dbraw/zinc/01/54/33/190015433.db2.gz FGRMZDNLSFVDEA-CQSZACIVSA-N 1 2 269.348 2.656 40 0 CFABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)[nH+]1 ZINC000257245091 190019663 /nfs/dbraw/zinc/01/96/63/190019663.db2.gz IOBDXQYJIHSLBF-INIZCTEOSA-N 1 2 295.386 2.837 40 0 CFABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C)cn3)C2)o1 ZINC000257253813 190021204 /nfs/dbraw/zinc/02/12/04/190021204.db2.gz KAJOBKHFGUNNQG-MRXNPFEDSA-N 1 2 272.348 2.865 40 0 CFABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C)cn3)C2)o1 ZINC000257253813 190021205 /nfs/dbraw/zinc/02/12/05/190021205.db2.gz KAJOBKHFGUNNQG-MRXNPFEDSA-N 1 2 272.348 2.865 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCOc2ccccc2)[nH+]1 ZINC000257256991 190021398 /nfs/dbraw/zinc/02/13/98/190021398.db2.gz KNQSIRCTTHBKLN-OAHLLOKOSA-N 1 2 299.374 2.851 40 0 CFABLO CCC(=O)N1CCC(c2cccc3[nH+]c(C)cn32)CC1 ZINC000257256580 190021524 /nfs/dbraw/zinc/02/15/24/190021524.db2.gz KMBWNZQVDZWMNM-UHFFFAOYSA-N 1 2 271.364 2.759 40 0 CFABLO c1cc([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257260564 190022412 /nfs/dbraw/zinc/02/24/12/190022412.db2.gz LDKCYBNISURFQB-HNNXBMFYSA-N 1 2 281.359 2.675 40 0 CFABLO c1cc([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]n1 ZINC000257260564 190022413 /nfs/dbraw/zinc/02/24/13/190022413.db2.gz LDKCYBNISURFQB-HNNXBMFYSA-N 1 2 281.359 2.675 40 0 CFABLO CC(C)C(=O)N1CCC[C@H]1c1ccnc(-c2c[nH+]cn2C)c1 ZINC000257275970 190024374 /nfs/dbraw/zinc/02/43/74/190024374.db2.gz NRURJGXWEBWIQB-HNNXBMFYSA-N 1 2 298.390 2.802 40 0 CFABLO Cc1nccc([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257275940 190024695 /nfs/dbraw/zinc/02/46/95/190024695.db2.gz NRPYAVWJTZEYNS-LBPRGKRZSA-N 1 2 260.366 2.579 40 0 CFABLO Cc1nccc([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257275940 190024696 /nfs/dbraw/zinc/02/46/96/190024696.db2.gz NRPYAVWJTZEYNS-LBPRGKRZSA-N 1 2 260.366 2.579 40 0 CFABLO c1nc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257323884 190033955 /nfs/dbraw/zinc/03/39/55/190033955.db2.gz WMGCBUKJNBPYCJ-LBPRGKRZSA-N 1 2 299.403 2.794 40 0 CFABLO c1nc(C[N@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cs1 ZINC000257323884 190033956 /nfs/dbraw/zinc/03/39/56/190033956.db2.gz WMGCBUKJNBPYCJ-LBPRGKRZSA-N 1 2 299.403 2.794 40 0 CFABLO c1cn2ccc([C@H]3CCCC[N@H+]3Cc3cncs3)nc2n1 ZINC000257323206 190034120 /nfs/dbraw/zinc/03/41/20/190034120.db2.gz WJDZKVUZWSDYHI-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO c1cn2ccc([C@H]3CCCC[N@@H+]3Cc3cncs3)nc2n1 ZINC000257323206 190034121 /nfs/dbraw/zinc/03/41/21/190034121.db2.gz WJDZKVUZWSDYHI-CQSZACIVSA-N 1 2 299.403 2.913 40 0 CFABLO C[NH+]1CCC2(CO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257323661 190034207 /nfs/dbraw/zinc/03/42/07/190034207.db2.gz WLHBPGVAPKIFEC-HNNXBMFYSA-N 1 2 263.356 2.869 40 0 CFABLO COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1F ZINC000257327882 190035032 /nfs/dbraw/zinc/03/50/32/190035032.db2.gz XDDBERPXRDVVKF-ZDUSSCGKSA-N 1 2 289.354 2.937 40 0 CFABLO COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1F ZINC000257327882 190035033 /nfs/dbraw/zinc/03/50/33/190035033.db2.gz XDDBERPXRDVVKF-ZDUSSCGKSA-N 1 2 289.354 2.937 40 0 CFABLO Cc1cnc(C2(C)CC[NH+](Cc3nccn3C)CC2)s1 ZINC000257338287 190036271 /nfs/dbraw/zinc/03/62/71/190036271.db2.gz YWSZGTVZZBUPSW-UHFFFAOYSA-N 1 2 290.436 2.739 40 0 CFABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000247920744 383200495 /nfs/dbraw/zinc/20/04/95/383200495.db2.gz CEWSPJVTCWOUSN-MRXNPFEDSA-N 1 2 298.386 2.615 40 0 CFABLO CCO[C@@H]1CCOC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000248382960 383232226 /nfs/dbraw/zinc/23/22/26/383232226.db2.gz YRPHTZBXMTYEHH-CQSZACIVSA-N 1 2 279.355 2.596 40 0 CFABLO CCc1cccc2c(OCC(=O)OC)cc(C)[nH+]c12 ZINC000064874809 393630932 /nfs/dbraw/zinc/63/09/32/393630932.db2.gz AQWIXCDKFKQPEM-UHFFFAOYSA-N 1 2 259.305 2.657 40 0 CFABLO CCCNc1[nH+]cccc1[C@@H]1CCCCN1C(C)=O ZINC000072213168 393643295 /nfs/dbraw/zinc/64/32/95/393643295.db2.gz BRMLGPGDYOXALQ-AWEZNQCLSA-N 1 2 261.369 2.977 40 0 CFABLO CC(C)N(c1ccc([C@H]2CCCN2C=O)c[nH+]1)C(C)C ZINC000072212944 393643821 /nfs/dbraw/zinc/64/38/21/393643821.db2.gz JXUOHZNLMBTMJM-OAHLLOKOSA-N 1 2 275.396 2.998 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1NCC(C)C ZINC000072213247 393644020 /nfs/dbraw/zinc/64/40/20/393644020.db2.gz QBBMTVALNNYHEP-AWEZNQCLSA-N 1 2 261.369 2.833 40 0 CFABLO CC(=O)N1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215957 393645342 /nfs/dbraw/zinc/64/53/42/393645342.db2.gz RSMHRRMSTDLNNJ-HNNXBMFYSA-N 1 2 273.380 2.755 40 0 CFABLO CC(=O)N1CCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213832 393645394 /nfs/dbraw/zinc/64/53/94/393645394.db2.gz JMONMVCKQADWQA-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO C=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072225577 393647936 /nfs/dbraw/zinc/64/79/36/393647936.db2.gz KLSRUJRIRBWZBN-UHFFFAOYSA-N 1 2 289.379 2.782 40 0 CFABLO Cc1ccc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)nc1 ZINC000072385498 393650314 /nfs/dbraw/zinc/65/03/14/393650314.db2.gz KSOLTOZPNWNNHV-CQSZACIVSA-N 1 2 268.364 2.872 40 0 CFABLO O=C1S/C(=C\c2ccccc2)C(=O)N1Cn1cc[nH+]c1 ZINC000006829398 170247221 /nfs/dbraw/zinc/24/72/21/170247221.db2.gz DFUXUUPIWJIZNQ-WQLSENKSSA-N 1 2 285.328 2.577 40 0 CFABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000022238426 171380654 /nfs/dbraw/zinc/38/06/54/171380654.db2.gz FUMBNKLLFJBCNS-UHFFFAOYSA-N 1 2 296.370 2.771 40 0 CFABLO Cc1nc(N)cc(-c2cccc(Br)c2)[nH+]1 ZINC000044262519 175157157 /nfs/dbraw/zinc/15/71/57/175157157.db2.gz HPOYQKXNDUBUEQ-UHFFFAOYSA-N 1 2 264.126 2.797 40 0 CFABLO CC(C)n1cc[nH+]c1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000072366828 278135397 /nfs/dbraw/zinc/13/53/97/278135397.db2.gz KFJDJWJKPQAYFZ-CYBMUJFWSA-N 1 2 259.357 2.524 40 0 CFABLO Cc1cccc([C@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000072356616 281255341 /nfs/dbraw/zinc/25/53/41/281255341.db2.gz RDUKWSGKDLGJLV-ZDUSSCGKSA-N 1 2 254.337 2.564 40 0 CFABLO CCNc1nc(Nc2cccc(F)c2C)cc(C2CC2)[nH+]1 ZINC000329071360 521731387 /nfs/dbraw/zinc/73/13/87/521731387.db2.gz ZOZZRJLCAYSOPP-UHFFFAOYSA-N 1 2 286.354 2.821 40 0 CFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000095533742 185006162 /nfs/dbraw/zinc/00/61/62/185006162.db2.gz MHMSNTDCNICZSI-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)c1 ZINC000095533574 185006684 /nfs/dbraw/zinc/00/66/84/185006684.db2.gz IGUAHHXOQSUTNY-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO COc1cccc([C@@H]([NH3+])c2nc(-c3ccccc3C)n[nH]2)c1 ZINC000095533574 185006685 /nfs/dbraw/zinc/00/66/85/185006685.db2.gz IGUAHHXOQSUTNY-OAHLLOKOSA-N 1 2 294.358 2.837 40 0 CFABLO CC(C)(C)c1n[nH]c([C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534019 185007258 /nfs/dbraw/zinc/00/72/58/185007258.db2.gz WVLFTEAMDBAMEG-JTQLQIEISA-N 1 2 264.760 2.804 40 0 CFABLO CC(C)(C)c1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095534019 185007259 /nfs/dbraw/zinc/00/72/59/185007259.db2.gz WVLFTEAMDBAMEG-JTQLQIEISA-N 1 2 264.760 2.804 40 0 CFABLO COCc1cncc2c1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096059257 185079433 /nfs/dbraw/zinc/07/94/33/185079433.db2.gz NYAYASLHGWCQOO-UHFFFAOYSA-N 1 2 272.348 2.688 40 0 CFABLO COCc1cncc2c1CC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096059257 185079434 /nfs/dbraw/zinc/07/94/34/185079434.db2.gz NYAYASLHGWCQOO-UHFFFAOYSA-N 1 2 272.348 2.688 40 0 CFABLO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060360 185081965 /nfs/dbraw/zinc/08/19/65/185081965.db2.gz SCZFJRLHUVZBMH-LBPRGKRZSA-N 1 2 291.420 2.536 40 0 CFABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nn(C)cc21 ZINC000096060360 185081967 /nfs/dbraw/zinc/08/19/67/185081967.db2.gz SCZFJRLHUVZBMH-LBPRGKRZSA-N 1 2 291.420 2.536 40 0 CFABLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111552 348734575 /nfs/dbraw/zinc/73/45/75/348734575.db2.gz VUULPUCVJAMPGJ-UKRRQHHQSA-N 1 2 295.386 2.591 40 0 CFABLO CNc1nc(Nc2ccc(F)cc2)cc(C2CC2)[nH+]1 ZINC000328974265 202135750 /nfs/dbraw/zinc/13/57/50/202135750.db2.gz FEYWPBORKIXCBG-UHFFFAOYSA-N 1 2 258.300 2.700 40 0 CFABLO CNc1nc(Nc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000328981825 202140457 /nfs/dbraw/zinc/14/04/57/202140457.db2.gz GWXIGVLHFHQRQF-UHFFFAOYSA-N 1 2 254.337 2.870 40 0 CFABLO CNc1nc(Nc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000328977685 202138048 /nfs/dbraw/zinc/13/80/48/202138048.db2.gz FUQYRLSBWDLQEI-UHFFFAOYSA-N 1 2 294.333 2.912 40 0 CFABLO CNc1nc(Nc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329003846 202146435 /nfs/dbraw/zinc/14/64/35/202146435.db2.gz KOISVLQPTSMNGG-UHFFFAOYSA-N 1 2 274.755 2.637 40 0 CFABLO Nc1c2ccc(-c3[nH]cc[nH+]3)cc2[nH]c1-c1ncc[nH]1 ZINC000013211971 283654480 /nfs/dbraw/zinc/65/44/80/283654480.db2.gz PFFWDOUYRAYDCI-UHFFFAOYSA-N 1 2 264.292 2.530 40 0 CFABLO CCCC[C@H](CC)CNc1[nH+]cnc2c1cnn2C ZINC000001577360 371682952 /nfs/dbraw/zinc/68/29/52/371682952.db2.gz CABSRUFGHXURKS-NSHDSACASA-N 1 2 261.373 2.992 40 0 CFABLO Cc1ccc(NC(=S)NCCCn2cc[nH+]c2)c(C)c1 ZINC000016215314 372103032 /nfs/dbraw/zinc/10/30/32/372103032.db2.gz LMGOCCFZJZXLAO-UHFFFAOYSA-N 1 2 288.420 2.877 40 0 CFABLO O=C(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000027347193 372339418 /nfs/dbraw/zinc/33/94/18/372339418.db2.gz MFEJFAWVQXBYRU-GOSISDBHSA-N 1 2 295.382 2.985 40 0 CFABLO COc1ccccc1Nc1cc(N)[nH+]c(SC)n1 ZINC000049467428 373299423 /nfs/dbraw/zinc/29/94/23/373299423.db2.gz HBGPGJTVNRACCG-UHFFFAOYSA-N 1 2 262.338 2.533 40 0 CFABLO COCCc1nc(Nc2ccc(Cl)cc2)cc(N)[nH+]1 ZINC000049467714 373302255 /nfs/dbraw/zinc/30/22/55/373302255.db2.gz BJQLUBIGKTWTAN-UHFFFAOYSA-N 1 2 278.743 2.645 40 0 CFABLO COCCc1nc(N)cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000049467714 373302257 /nfs/dbraw/zinc/30/22/57/373302257.db2.gz BJQLUBIGKTWTAN-UHFFFAOYSA-N 1 2 278.743 2.645 40 0 CFABLO COc1ccccc1CNC(=S)Nc1cc[nH+]cc1 ZINC000066138855 373913925 /nfs/dbraw/zinc/91/39/25/373913925.db2.gz CFRCSRSAOWFEQT-UHFFFAOYSA-N 1 2 273.361 2.577 40 0 CFABLO CC(C)Cn1ccc(C[NH2+]Cc2cnn(C(C)C)c2)n1 ZINC000256052727 190004614 /nfs/dbraw/zinc/00/46/14/190004614.db2.gz OKLALOCMKJYYBU-UHFFFAOYSA-N 1 2 275.400 2.606 40 0 CFABLO Fc1cccc(C[NH2+]Cc2ccn(C(F)F)n2)c1F ZINC000256054389 190005504 /nfs/dbraw/zinc/00/55/04/190005504.db2.gz WBLJNIURVCEERS-UHFFFAOYSA-N 1 2 273.233 2.846 40 0 CFABLO CNc1cc([C@@H]2CCCN2Cc2nccs2)[nH+]c(C)n1 ZINC000257218550 190013791 /nfs/dbraw/zinc/01/37/91/190013791.db2.gz DDNQCYCRARGRQQ-LBPRGKRZSA-N 1 2 289.408 2.620 40 0 CFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)nc(C)n1 ZINC000257218550 190013792 /nfs/dbraw/zinc/01/37/92/190013792.db2.gz DDNQCYCRARGRQQ-LBPRGKRZSA-N 1 2 289.408 2.620 40 0 CFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2nccs2)nc(C)n1 ZINC000257218550 190013793 /nfs/dbraw/zinc/01/37/93/190013793.db2.gz DDNQCYCRARGRQQ-LBPRGKRZSA-N 1 2 289.408 2.620 40 0 CFABLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1ccncn1 ZINC000257223402 190014554 /nfs/dbraw/zinc/01/45/54/190014554.db2.gz DXEIHVPIRCVCOK-INIZCTEOSA-N 1 2 293.374 2.700 40 0 CFABLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]1c1ccncn1 ZINC000257223402 190014555 /nfs/dbraw/zinc/01/45/55/190014555.db2.gz DXEIHVPIRCVCOK-INIZCTEOSA-N 1 2 293.374 2.700 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccsc3)C2)[nH+]1 ZINC000257252345 190020831 /nfs/dbraw/zinc/02/08/31/190020831.db2.gz JULQVGYWKYKPHS-LBPRGKRZSA-N 1 2 289.404 2.810 40 0 CFABLO CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257233385 190017390 /nfs/dbraw/zinc/01/73/90/190017390.db2.gz GPBWOSJYHUBDJF-HNNXBMFYSA-N 1 2 273.384 2.914 40 0 CFABLO CC(C)n1nccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000257233385 190017391 /nfs/dbraw/zinc/01/73/91/190017391.db2.gz GPBWOSJYHUBDJF-HNNXBMFYSA-N 1 2 273.384 2.914 40 0 CFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257242387 190018886 /nfs/dbraw/zinc/01/88/86/190018886.db2.gz ICFSLPBLDQRMFA-MRXNPFEDSA-N 1 2 297.402 2.596 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccs2)[nH+]1 ZINC000257266256 190023067 /nfs/dbraw/zinc/02/30/67/190023067.db2.gz MCEXRKFBZZRMJC-JTQLQIEISA-N 1 2 261.350 2.757 40 0 CFABLO COc1ccc([C@@H]2CN(Cc3ccccn3)CC[N@@H+]2C)cc1 ZINC000257260606 190022608 /nfs/dbraw/zinc/02/26/08/190022608.db2.gz LDNRCPTUOHMSOH-SFHVURJKSA-N 1 2 297.402 2.579 40 0 CFABLO COc1ccc([C@@H]2CN(Cc3ccccn3)CC[N@H+]2C)cc1 ZINC000257260606 190022609 /nfs/dbraw/zinc/02/26/09/190022609.db2.gz LDNRCPTUOHMSOH-SFHVURJKSA-N 1 2 297.402 2.579 40 0 CFABLO CNc1cc([C@H]2CCCN2C(=O)CC2CC2)cc[nH+]1 ZINC000257282873 190026119 /nfs/dbraw/zinc/02/61/19/190026119.db2.gz OVQBHEIVZXTWNS-CYBMUJFWSA-N 1 2 259.353 2.587 40 0 CFABLO CCC(=O)N1CCC[C@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257288039 190026768 /nfs/dbraw/zinc/02/67/68/190026768.db2.gz PSOIQTMGLHGWNF-HNNXBMFYSA-N 1 2 298.390 2.864 40 0 CFABLO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC000257275889 190025039 /nfs/dbraw/zinc/02/50/39/190025039.db2.gz NRKDFPRAPXUQQJ-CYBMUJFWSA-N 1 2 299.403 2.831 40 0 CFABLO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC000257275889 190025040 /nfs/dbraw/zinc/02/50/40/190025040.db2.gz NRKDFPRAPXUQQJ-CYBMUJFWSA-N 1 2 299.403 2.831 40 0 CFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257295530 190028348 /nfs/dbraw/zinc/02/83/48/190028348.db2.gz QYSJNBOFFJKSNU-CYBMUJFWSA-N 1 2 289.404 2.696 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1ccnc(C)n1 ZINC000257299400 190029514 /nfs/dbraw/zinc/02/95/14/190029514.db2.gz RPYHVEURLLZUKK-AWEZNQCLSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000257299400 190029515 /nfs/dbraw/zinc/02/95/15/190029515.db2.gz RPYHVEURLLZUKK-AWEZNQCLSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1cn[nH]c1[C@@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000257299400 190029517 /nfs/dbraw/zinc/02/95/17/190029517.db2.gz RPYHVEURLLZUKK-AWEZNQCLSA-N 1 2 271.368 2.544 40 0 CFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccccc3C)C2)[nH+]1 ZINC000257304712 190030431 /nfs/dbraw/zinc/03/04/31/190030431.db2.gz SMUZYXZFVAVGMJ-MRXNPFEDSA-N 1 2 297.402 2.975 40 0 CFABLO CCc1[nH+]ccn1-c1ccc([C@@H]2CCCCN2C(C)=O)cn1 ZINC000257332754 190035348 /nfs/dbraw/zinc/03/53/48/190035348.db2.gz XYNGIPRHVIWWMG-HNNXBMFYSA-N 1 2 298.390 2.903 40 0 CFABLO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3cscn3)C2)n1 ZINC000257344240 383494645 /nfs/dbraw/zinc/49/46/45/383494645.db2.gz ZWFWEBWCQIEYPG-LBPRGKRZSA-N 1 2 274.393 2.539 40 0 CFABLO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3cscn3)C2)n1 ZINC000257344240 383494649 /nfs/dbraw/zinc/49/46/49/383494649.db2.gz ZWFWEBWCQIEYPG-LBPRGKRZSA-N 1 2 274.393 2.539 40 0 CFABLO CC(C)[N@@H+]1CCCC[C@H]1c1ncc(C(=O)N(C)C)s1 ZINC000257297934 383494830 /nfs/dbraw/zinc/49/48/30/383494830.db2.gz RJKSCTQPQWZXQA-NSHDSACASA-N 1 2 281.425 2.780 40 0 CFABLO CC(C)[N@H+]1CCCC[C@H]1c1ncc(C(=O)N(C)C)s1 ZINC000257297934 383494832 /nfs/dbraw/zinc/49/48/32/383494832.db2.gz RJKSCTQPQWZXQA-NSHDSACASA-N 1 2 281.425 2.780 40 0 CFABLO Cc1cc(C)nc(N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257326744 383495263 /nfs/dbraw/zinc/49/52/63/383495263.db2.gz WYLGWLUWNIBDBL-OAHLLOKOSA-N 1 2 297.406 2.896 40 0 CFABLO CCOC(=O)COc1cc(C)[nH+]c2c(C)ccc(F)c12 ZINC000064874851 393631300 /nfs/dbraw/zinc/63/13/00/393631300.db2.gz REDWJMCEVHBELW-UHFFFAOYSA-N 1 2 277.295 2.933 40 0 CFABLO O=CN1CCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213945 393645412 /nfs/dbraw/zinc/64/54/12/393645412.db2.gz WQXRSPHZEIDLPN-AWEZNQCLSA-N 1 2 259.353 2.729 40 0 CFABLO CCN(C)c1[nH+]cc([C@@H](O)c2ccccc2)cc1C ZINC000072222203 393646549 /nfs/dbraw/zinc/64/65/49/393646549.db2.gz NXESYHONPPFJAW-HNNXBMFYSA-N 1 2 256.349 2.928 40 0 CFABLO Cc1ccc(C(C)C)c(Oc2c[nH+]c(N)nc2N)c1 ZINC000098052584 393842217 /nfs/dbraw/zinc/84/22/17/393842217.db2.gz RAKSAPLZNJXYRB-UHFFFAOYSA-N 1 2 258.325 2.865 40 0 in-vitro CFABLO C[NH+](C)[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006374928 170195976 /nfs/dbraw/zinc/19/59/76/170195976.db2.gz ADPZSEBFNQFRKD-MRXNPFEDSA-N 1 2 289.400 2.763 40 0 CFABLO CCn1c(CCc2[nH]c3ccccc3[nH+]2)n[nH]c1=S ZINC000006493577 170206405 /nfs/dbraw/zinc/20/64/05/170206405.db2.gz DSKOLHQVJYALQT-UHFFFAOYSA-N 1 2 273.365 2.622 40 0 CFABLO COC(=O)[C@H](C)Oc1cc[nH+]c2c(C)cc(C)cc12 ZINC000045928062 175386893 /nfs/dbraw/zinc/38/68/93/175386893.db2.gz WNPKFIAHBLXLTR-NSHDSACASA-N 1 2 259.305 2.792 40 0 CFABLO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1CCCC1 ZINC000216865708 262341378 /nfs/dbraw/zinc/34/13/78/262341378.db2.gz JNESOKKACZXUJQ-UHFFFAOYSA-N 1 2 261.369 2.772 40 0 CFABLO CCc1nc2sc3c(c2c(NN)[nH+]1)CC[C@H](C)C3 ZINC000000413267 281531499 /nfs/dbraw/zinc/53/14/99/281531499.db2.gz SAOQOYCTISGPNT-ZETCQYMHSA-N 1 2 262.382 2.664 40 0 CFABLO Cc1cc(C)nc([C@@H]2CCCCN2c2cc(C)[nH+]cn2)n1 ZINC000072364148 301334221 /nfs/dbraw/zinc/33/42/21/301334221.db2.gz LVUVLVRTOQMZIR-AWEZNQCLSA-N 1 2 283.379 2.923 40 0 CFABLO CCNc1nc(Nc2cc(C)ccc2C)cc(C2CC2)[nH+]1 ZINC000329055447 521731397 /nfs/dbraw/zinc/73/13/97/521731397.db2.gz VOFGREAYEKYBJC-UHFFFAOYSA-N 1 2 282.391 2.990 40 0 CFABLO CNc1nc(Nc2ccccc2SC)cc(C2CC2)[nH+]1 ZINC000329051423 524036501 /nfs/dbraw/zinc/03/65/01/524036501.db2.gz UWUYNPZSEVHZMJ-UHFFFAOYSA-N 1 2 286.404 2.705 40 0 CFABLO COc1cccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)c1 ZINC000095533396 185006265 /nfs/dbraw/zinc/00/62/65/185006265.db2.gz UJXLLFZUYPHRDO-CQSZACIVSA-N 1 2 280.331 2.528 40 0 CFABLO COc1cccc(-c2nc([C@H]([NH3+])c3ccccc3)n[nH]2)c1 ZINC000095533396 185006268 /nfs/dbraw/zinc/00/62/68/185006268.db2.gz UJXLLFZUYPHRDO-CQSZACIVSA-N 1 2 280.331 2.528 40 0 CFABLO COc1cccc(-c2nc([C@H]([NH3+])c3ccc(F)cc3)n[nH]2)c1 ZINC000095533258 185007521 /nfs/dbraw/zinc/00/75/21/185007521.db2.gz PBRHYIDKGILWCE-CQSZACIVSA-N 1 2 298.321 2.668 40 0 CFABLO CCOC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC)nc21 ZINC000096059902 185081467 /nfs/dbraw/zinc/08/14/67/185081467.db2.gz QFZPTWOXPBKZAG-HNNXBMFYSA-N 1 2 289.379 2.632 40 0 CFABLO CCOC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC)nc21 ZINC000096059902 185081468 /nfs/dbraw/zinc/08/14/68/185081468.db2.gz QFZPTWOXPBKZAG-HNNXBMFYSA-N 1 2 289.379 2.632 40 0 CFABLO CC(C)Nc1cc(-c2ccncc2)[nH+]c(NC(C)(C)C)n1 ZINC000328987678 202143375 /nfs/dbraw/zinc/14/33/75/202143375.db2.gz IDVNJBIEHUYZRL-UHFFFAOYSA-N 1 2 285.395 2.991 40 0 CFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1 ZINC000329003357 202147224 /nfs/dbraw/zinc/14/72/24/202147224.db2.gz KLOJWFZLXCGGOR-GFCCVEGCSA-N 1 2 298.390 2.621 40 0 CFABLO CCNc1nc(Nc2cc(F)ccc2F)cc(C2CC2)[nH+]1 ZINC000329012025 202150940 /nfs/dbraw/zinc/15/09/40/202150940.db2.gz MGYWQONPEKXSDV-UHFFFAOYSA-N 1 2 290.317 2.651 40 0 CFABLO C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@H+]2CC1CC1 ZINC000001999400 371712196 /nfs/dbraw/zinc/71/21/96/371712196.db2.gz HQBZLVPZOGIAIQ-SDDDUWNISA-N 1 2 285.387 2.967 40 0 in-man CFABLO C[C@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000001999400 371712200 /nfs/dbraw/zinc/71/22/00/371712200.db2.gz HQBZLVPZOGIAIQ-SDDDUWNISA-N 1 2 285.387 2.967 40 0 in-man CFABLO CCc1ccc(C[C@@H]2c3ccccc3C[C@@H]2O)[nH+]c1 ZINC000001675106 371697363 /nfs/dbraw/zinc/69/73/63/371697363.db2.gz CGHPRNYVECJBLT-SJORKVTESA-N 1 2 253.345 2.887 40 0 CFABLO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000012360617 371955370 /nfs/dbraw/zinc/95/53/70/371955370.db2.gz FJDWFIDACOSHMJ-ARFHVFGLSA-N 1 2 299.418 2.557 40 0 CFABLO S=C(NCCc1ccccc1)Nc1cc[nH+]cc1 ZINC000013837262 372051994 /nfs/dbraw/zinc/05/19/94/372051994.db2.gz RPAXWRIHTUPIOF-UHFFFAOYSA-N 1 2 257.362 2.611 40 0 CFABLO C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000036383609 372577159 /nfs/dbraw/zinc/57/71/59/372577159.db2.gz ONTYSXQODAKECR-SRVKXCTJSA-N 1 2 296.798 2.776 40 0 CFABLO CNc1cccc([C@@H]2CCCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000072364317 374245749 /nfs/dbraw/zinc/24/57/49/374245749.db2.gz ODDWGEBNTSQUSI-CYBMUJFWSA-N 1 2 283.379 2.606 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cccs3)C2)[nH+]1 ZINC000257230632 190015957 /nfs/dbraw/zinc/01/59/57/190015957.db2.gz GDEDVGWMTMNNSW-NSHDSACASA-N 1 2 275.377 2.799 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccc(C)nc2)n1 ZINC000257219472 190014135 /nfs/dbraw/zinc/01/41/35/190014135.db2.gz DGXDHFIXISYEMO-HNNXBMFYSA-N 1 2 270.380 2.769 40 0 CFABLO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccc(C)nc2)n1 ZINC000257219472 190014136 /nfs/dbraw/zinc/01/41/36/190014136.db2.gz DGXDHFIXISYEMO-HNNXBMFYSA-N 1 2 270.380 2.769 40 0 CFABLO COCC[N@@H+]1CCC[C@@H]1c1nc(C)cc(C(F)(F)F)n1 ZINC000257255073 190020673 /nfs/dbraw/zinc/02/06/73/190020673.db2.gz KFZQWZNNRSQFRN-SNVBAGLBSA-N 1 2 289.301 2.587 40 0 CFABLO COCC[N@H+]1CCC[C@@H]1c1nc(C)cc(C(F)(F)F)n1 ZINC000257255073 190020674 /nfs/dbraw/zinc/02/06/74/190020674.db2.gz KFZQWZNNRSQFRN-SNVBAGLBSA-N 1 2 289.301 2.587 40 0 CFABLO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cs1 ZINC000257255694 190020801 /nfs/dbraw/zinc/02/08/01/190020801.db2.gz KIMPJTNVFOPKPN-LBPRGKRZSA-N 1 2 276.409 2.629 40 0 CFABLO Cc1nc(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cs1 ZINC000257255694 190020802 /nfs/dbraw/zinc/02/08/02/190020802.db2.gz KIMPJTNVFOPKPN-LBPRGKRZSA-N 1 2 276.409 2.629 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccc(C)s2)[nH+]1 ZINC000257254876 190021128 /nfs/dbraw/zinc/02/11/28/190021128.db2.gz KFAZZENRCYZJDJ-CYBMUJFWSA-N 1 2 289.404 2.994 40 0 CFABLO c1cn2ccc([C@@H]3CCCC[N@H+]3Cc3cscn3)nc2n1 ZINC000257277182 190025516 /nfs/dbraw/zinc/02/55/16/190025516.db2.gz NWTSMUPGHPQHBJ-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO c1cn2ccc([C@@H]3CCCC[N@@H+]3Cc3cscn3)nc2n1 ZINC000257277182 190025517 /nfs/dbraw/zinc/02/55/17/190025517.db2.gz NWTSMUPGHPQHBJ-AWEZNQCLSA-N 1 2 299.403 2.913 40 0 CFABLO COc1ccc(C[C@H]2C[N@H+](Cc3cccnc3)CCO2)cc1 ZINC000257309658 190030859 /nfs/dbraw/zinc/03/08/59/190030859.db2.gz UBVYKBRCSHBFEC-SFHVURJKSA-N 1 2 298.386 2.534 40 0 CFABLO COc1ccc(C[C@H]2C[N@@H+](Cc3cccnc3)CCO2)cc1 ZINC000257309658 190030860 /nfs/dbraw/zinc/03/08/60/190030860.db2.gz UBVYKBRCSHBFEC-SFHVURJKSA-N 1 2 298.386 2.534 40 0 CFABLO CCn1nccc1-c1cccc(CC2CC[NH+](C)CC2)n1 ZINC000257322299 190034021 /nfs/dbraw/zinc/03/40/21/190034021.db2.gz WFJXGUWOMKVQDX-UHFFFAOYSA-N 1 2 284.407 2.849 40 0 CFABLO CCCn1nccc1-c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000257325615 190034472 /nfs/dbraw/zinc/03/44/72/190034472.db2.gz WTSFDCRKESPMEA-UHFFFAOYSA-N 1 2 285.395 2.526 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000257336891 190036701 /nfs/dbraw/zinc/03/67/01/190036701.db2.gz YQMIKXCZMRQVHP-CYBMUJFWSA-N 1 2 261.369 2.962 40 0 CFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(F)cc2F)[nH+]1 ZINC000257340760 190036902 /nfs/dbraw/zinc/03/69/02/190036902.db2.gz ZHLIBIVBQWIWKS-CYBMUJFWSA-N 1 2 291.301 2.974 40 0 CFABLO CC(C)(C)OC(=O)NCCCc1ccc2c([nH+]1)NCCC2 ZINC000137359399 378224093 /nfs/dbraw/zinc/22/40/93/378224093.db2.gz NGHWFILDWHJGOE-UHFFFAOYSA-N 1 2 291.395 2.897 40 0 CFABLO CC1(C)CC(Nc2ccc([NH3+])cc2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC000408712781 380944039 /nfs/dbraw/zinc/94/40/39/380944039.db2.gz QOBGEMIIGVTEKW-UHFFFAOYSA-N 1 2 291.395 2.688 40 0 CFABLO S=C(NCCSCc1ccco1)Nc1cc[nH+]cc1 ZINC000225349514 382814613 /nfs/dbraw/zinc/81/46/13/382814613.db2.gz AOTQDBXVQITMAG-UHFFFAOYSA-N 1 2 293.417 2.894 40 0 CFABLO COC(=O)COc1cc(C)[nH+]c2c(C)ccc(F)c12 ZINC000064874850 393630700 /nfs/dbraw/zinc/63/07/00/393630700.db2.gz OTMWHOWYBRYZOX-UHFFFAOYSA-N 1 2 263.268 2.543 40 0 CFABLO CC(=O)N1CCC[C@H]1c1c[nH+]c(N2CCCC2)c(C)c1 ZINC000072218793 393644896 /nfs/dbraw/zinc/64/48/96/393644896.db2.gz FKZSSSGAVOGLLG-HNNXBMFYSA-N 1 2 273.380 2.674 40 0 CFABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1C=O ZINC000072223878 393647920 /nfs/dbraw/zinc/64/79/20/393647920.db2.gz RXALAVTTYXYKES-UHFFFAOYSA-N 1 2 252.317 2.765 40 0 CFABLO CCOC(=O)[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000396174524 397554442 /nfs/dbraw/zinc/55/44/42/397554442.db2.gz GNKZPXOJKHIUEM-HIFRSBDPSA-N 1 2 259.349 2.769 40 0 CFABLO CCOC(=O)[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000396174524 397554445 /nfs/dbraw/zinc/55/44/45/397554445.db2.gz GNKZPXOJKHIUEM-HIFRSBDPSA-N 1 2 259.349 2.769 40 0 CFABLO CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000039953996 174177781 /nfs/dbraw/zinc/17/77/81/174177781.db2.gz AREYBAUQIHNEEM-CYBMUJFWSA-N 1 2 278.352 2.860 40 0 CFABLO O=C(C1CCC1)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378502 176386207 /nfs/dbraw/zinc/38/62/07/176386207.db2.gz IIWMKOVMBVOGKF-OAHLLOKOSA-N 1 2 296.374 2.731 40 0 CFABLO Fc1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072384960 176388837 /nfs/dbraw/zinc/38/88/37/176388837.db2.gz ZOUJGORIBRJOIA-ZDUSSCGKSA-N 1 2 259.328 2.928 40 0 CFABLO Fc1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072384960 176388839 /nfs/dbraw/zinc/38/88/39/176388839.db2.gz ZOUJGORIBRJOIA-ZDUSSCGKSA-N 1 2 259.328 2.928 40 0 CFABLO C[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000061843940 278232516 /nfs/dbraw/zinc/23/25/16/278232516.db2.gz UJJQZDFRSDIZNT-LURJTMIESA-N 1 2 256.231 2.510 40 0 CFABLO Cc1cc(CC2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000257321805 280468917 /nfs/dbraw/zinc/46/89/17/280468917.db2.gz WDHRQTKFNAKTBM-UHFFFAOYSA-N 1 2 268.364 2.639 40 0 CFABLO Clc1ccc2c(c1)N[C@@H](c1ccccn1)N1CC[NH+]=C21 ZINC000012144175 294108605 /nfs/dbraw/zinc/10/86/05/294108605.db2.gz DUSGANNTWFOWNC-OAHLLOKOSA-N 1 2 284.750 2.922 40 0 CFABLO CCOC(=O)CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083291697 333208180 /nfs/dbraw/zinc/20/81/80/333208180.db2.gz WMPAVPNJKNCHQH-OAHLLOKOSA-N 1 2 289.375 2.563 40 0 CFABLO CCOC(=O)CC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000083291697 333208182 /nfs/dbraw/zinc/20/81/82/333208182.db2.gz WMPAVPNJKNCHQH-OAHLLOKOSA-N 1 2 289.375 2.563 40 0 CFABLO