smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1cc(C)[nH+]c2c(Cl)ccc(Cl)c12 ZINC000082441539 178020833 /nfs/dbraw/zinc/02/08/33/178020833.db2.gz WQZATJQJXIYBMW-UHFFFAOYSA-N 1 2 255.148 4.282 10 0 CIAELO CCC(CC)C[NH2+]c1ccc(OC(F)(F)F)cc1 ZINC000019985766 170961000 /nfs/dbraw/zinc/96/10/00/170961000.db2.gz FJGSVSUDFFXIPQ-UHFFFAOYSA-N 1 2 261.287 4.433 10 0 CIAELO Nc1ccc([NH2+]C2CCCCC2)cc1C(F)(F)F ZINC000020381456 171172399 /nfs/dbraw/zinc/17/23/99/171172399.db2.gz JWVGTLVRUMIQKN-UHFFFAOYSA-N 1 2 258.287 4.032 10 0 CIAELO CCOc1ccc([NH2+]CC(CC)CC)cc1OCC ZINC000020547201 171244669 /nfs/dbraw/zinc/24/46/69/171244669.db2.gz MHJAGDOFMPCQJP-UHFFFAOYSA-N 1 2 265.397 4.332 10 0 CIAELO C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(OC(F)F)cc1 ZINC000021011871 171287484 /nfs/dbraw/zinc/28/74/84/171287484.db2.gz PBBILEZTBDQJDX-MFKMUULPSA-N 1 2 255.308 4.279 10 0 CIAELO [NH2+]=C1c2ccccc2CN1c1cccc(Cl)c1Cl ZINC000021023281 171290660 /nfs/dbraw/zinc/29/06/60/171290660.db2.gz UPQDKTZSPVVSEL-UHFFFAOYSA-N 1 2 277.154 4.339 10 0 CIAELO COc1cc(OC)c([NH2+][C@@H]2CCCC[C@H]2C)cc1Cl ZINC000021806863 171327783 /nfs/dbraw/zinc/32/77/83/171327783.db2.gz BHDVLWAVJWOKTO-ZYHUDNBSSA-N 1 2 283.799 4.348 10 0 CIAELO C[C@@H](Nc1cccc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000021806601 171327996 /nfs/dbraw/zinc/32/79/96/171327996.db2.gz HPYAIJZMTZIOPN-JISDDCRVSA-N 1 2 256.393 4.098 10 0 CIAELO Clc1ccc([C@H]([NH2+]Cc2ccco2)c2ccco2)s1 ZINC000037184272 173016227 /nfs/dbraw/zinc/01/62/27/173016227.db2.gz VIPUGFRYIGMYKG-CQSZACIVSA-N 1 2 293.775 4.467 10 0 CIAELO Nc1ccc(SCc2ccc(Cl)c(Cl)c2)c[nH+]1 ZINC000037192255 173021078 /nfs/dbraw/zinc/02/10/78/173021078.db2.gz OZYLTNCSLHCDHM-UHFFFAOYSA-N 1 2 285.199 4.263 10 0 CIAELO Cc1cc(C(C)(C)C)ccc1Oc1cc[nH+]cc1N ZINC000037428916 173200200 /nfs/dbraw/zinc/20/02/00/173200200.db2.gz LQGMTLXFNFUTLA-UHFFFAOYSA-N 1 2 256.349 4.062 10 0 CIAELO FC(F)(F)c1cccc2c(NCc3ccco3)cc[nH+]c21 ZINC000039963831 174179712 /nfs/dbraw/zinc/17/97/12/174179712.db2.gz BUDFULRKVHLUNR-UHFFFAOYSA-N 1 2 292.260 4.459 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1c(C)cccc1C ZINC000040224670 174207873 /nfs/dbraw/zinc/20/78/73/174207873.db2.gz KIKWAYRRILWXQO-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCCOc1ccccc1C ZINC000040227385 174208824 /nfs/dbraw/zinc/20/88/24/174208824.db2.gz YWHQXWPYLKSHIV-UHFFFAOYSA-N 1 2 294.398 4.376 10 0 CIAELO COCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040404676 174253839 /nfs/dbraw/zinc/25/38/39/174253839.db2.gz QJWDHODIGYNFOR-UHFFFAOYSA-N 1 2 292.810 4.384 10 0 CIAELO Cc1cc[nH+]cc1N[C@@H]1CCSc2ccccc21 ZINC000071413269 176158492 /nfs/dbraw/zinc/15/84/92/176158492.db2.gz IVDRGTQQOFMKMO-CYBMUJFWSA-N 1 2 256.374 4.039 10 0 CIAELO Cc1cc[nH+]cc1N[C@H](C)c1ccc(Br)cc1 ZINC000071413239 176158627 /nfs/dbraw/zinc/15/86/27/176158627.db2.gz NJVZEINATSSRRC-LLVKDONJSA-N 1 2 291.192 4.326 10 0 CIAELO Cc1ccc(C)c(SCc2[nH+]ccn2C(C)C)c1 ZINC000171677734 335074124 /nfs/dbraw/zinc/07/41/24/335074124.db2.gz MMAVNGUXAZRIQB-UHFFFAOYSA-N 1 2 260.406 4.373 10 0 CIAELO COc1cc(C)[nH+]c(CNc2ccccc2C(C)C)c1 ZINC000214107776 260231233 /nfs/dbraw/zinc/23/12/33/260231233.db2.gz WBJVOQRIKQZJCK-UHFFFAOYSA-N 1 2 270.376 4.134 10 0 CIAELO CC(C)n1cc[nH+]c1CS[C@H](C)c1ccccc1 ZINC000175275227 261217974 /nfs/dbraw/zinc/21/79/74/261217974.db2.gz PTPDYCFCRWGRFT-CYBMUJFWSA-N 1 2 260.406 4.458 10 0 CIAELO c1ccc(COc2ccccc2CNc2cccc[nH+]2)cc1 ZINC000019778105 262193970 /nfs/dbraw/zinc/19/39/70/262193970.db2.gz WHQAABYBLUJZNI-UHFFFAOYSA-N 1 2 290.366 4.273 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2)o1 ZINC000227556515 329327349 /nfs/dbraw/zinc/32/73/49/329327349.db2.gz ORKKIJSTSYBGLK-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO COc1ccc2[nH+]c(N[C@H](C)c3cccc(O)c3)ccc2c1 ZINC000174720588 329160976 /nfs/dbraw/zinc/16/09/76/329160976.db2.gz QZWHJNDUFWDMFN-GFCCVEGCSA-N 1 2 294.354 4.122 10 0 CIAELO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611498 329201480 /nfs/dbraw/zinc/20/14/80/329201480.db2.gz RYRVICAWRZLLBV-KBXCAEBGSA-N 1 2 278.355 4.115 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2)o1 ZINC000227556510 329327455 /nfs/dbraw/zinc/32/74/55/329327455.db2.gz ORKKIJSTSYBGLK-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO CCn1cc[nH+]c1CSCc1cc(Cl)ccc1F ZINC000190047490 333202577 /nfs/dbraw/zinc/20/25/77/333202577.db2.gz PAJFHSFKFZXYGW-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO CCS[C@@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000230922466 333322722 /nfs/dbraw/zinc/32/27/22/333322722.db2.gz YFPWGQRICIHSLA-ZIAGYGMSSA-N 1 2 272.417 4.321 10 0 CIAELO CC(C)c1ccc(SCc2ccc(N)[nH+]c2)cc1 ZINC000050834023 519838961 /nfs/dbraw/zinc/83/89/61/519838961.db2.gz SJMKKSQYOUHJKB-UHFFFAOYSA-N 1 2 258.390 4.080 10 0 CIAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000076292071 519887885 /nfs/dbraw/zinc/88/78/85/519887885.db2.gz BPXFKMBUJLXMBQ-CYBMUJFWSA-N 1 2 287.407 4.167 10 0 CIAELO CCCCCCOCc1ccc[nH+]c1NCCC ZINC000052755133 520100556 /nfs/dbraw/zinc/10/05/56/520100556.db2.gz AIFNFNXZVUYLOC-UHFFFAOYSA-N 1 2 250.386 4.000 10 0 CIAELO CCNc1ccc(COc2c(Cl)cccc2Cl)c[nH+]1 ZINC000050833199 520303441 /nfs/dbraw/zinc/30/34/41/520303441.db2.gz USCFGFKDWGTFTQ-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CCNc1[nH+]cccc1COc1ccc(Cl)cc1C ZINC000052754591 520377920 /nfs/dbraw/zinc/37/79/20/520377920.db2.gz MIADXMAPQPAOFJ-UHFFFAOYSA-N 1 2 276.767 4.054 10 0 CIAELO CCNc1[nH+]cccc1COc1cc(C)ccc1Cl ZINC000052755386 520378708 /nfs/dbraw/zinc/37/87/08/520378708.db2.gz DHCVQSOBASQSPT-UHFFFAOYSA-N 1 2 276.767 4.054 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1ccccc1C ZINC000161918766 523545368 /nfs/dbraw/zinc/54/53/68/523545368.db2.gz UDQSLHONAMLFEL-CYBMUJFWSA-N 1 2 260.406 4.206 10 0 CIAELO Cc1cc(N)c2c(Cl)c(Cl)cc(Cl)c2[nH+]1 ZINC000050869187 525034975 /nfs/dbraw/zinc/03/49/75/525034975.db2.gz LGCAAHVAQKTJJD-UHFFFAOYSA-N 1 2 261.539 4.086 10 0 CIAELO Cc1[nH+]c[nH]c1CNc1c(Cl)cccc1C(F)(F)F ZINC000054794428 527213350 /nfs/dbraw/zinc/21/33/50/527213350.db2.gz VKLZUYFRPRYKBF-UHFFFAOYSA-N 1 2 289.688 4.002 10 0 CIAELO CC[NH2+]c1ccc(N2CCCC[C@H]2C)c(Br)c1 ZINC000226285084 567041391 /nfs/dbraw/zinc/04/13/91/567041391.db2.gz FDJKYXGXSDWFIW-LLVKDONJSA-N 1 2 297.240 4.260 10 0 CIAELO CC[C@@H](C)[P@H+](c1ccccc1N(C)C)[C@@H](C)CC ZINC000098090973 185686535 /nfs/dbraw/zinc/68/65/35/185686535.db2.gz CPMFZCOSAHULNQ-UUVAVEHKSA-N 1 2 265.381 4.457 10 0 CIAELO CC[C@@H](C)[P@@H+](c1ccccc1N(C)C)[C@@H](C)CC ZINC000098090973 185686536 /nfs/dbraw/zinc/68/65/36/185686536.db2.gz CPMFZCOSAHULNQ-UUVAVEHKSA-N 1 2 265.381 4.457 10 0 CIAELO CCNc1nc(-c2cccc(Cl)c2)[nH+]c(CC)c1C ZINC000110476721 186299457 /nfs/dbraw/zinc/29/94/57/186299457.db2.gz ZJIRRTDKPDQNES-UHFFFAOYSA-N 1 2 275.783 4.100 10 0 CIAELO CC[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129459 171017782 /nfs/dbraw/zinc/01/77/82/171017782.db2.gz XPAPJJOCQJQYTA-HOTGVXAUSA-N 1 2 288.460 4.092 10 0 CIAELO Nc1c[nH+]ccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000020370697 171167765 /nfs/dbraw/zinc/16/77/65/171167765.db2.gz XAJXADJXTYMBNQ-UHFFFAOYSA-N 1 2 289.549 4.416 10 0 CIAELO C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020383685 171174413 /nfs/dbraw/zinc/17/44/13/171174413.db2.gz ZXBNSUAQUSVAKO-ZANVPECISA-N 1 2 272.314 4.278 10 0 CIAELO C[N@H+](Cc1cccc(N)c1)Cc1c(Cl)cccc1Cl ZINC000035359987 172150621 /nfs/dbraw/zinc/15/06/21/172150621.db2.gz RSOUAJLDICOVOB-UHFFFAOYSA-N 1 2 295.213 4.208 10 0 CIAELO C[N@@H+](Cc1cccc(N)c1)Cc1c(Cl)cccc1Cl ZINC000035359987 172150623 /nfs/dbraw/zinc/15/06/23/172150623.db2.gz RSOUAJLDICOVOB-UHFFFAOYSA-N 1 2 295.213 4.208 10 0 CIAELO CC[C@H](C)[C@H](C)[NH2+]c1ccc(OCC(F)(F)F)cc1 ZINC000036972513 172839782 /nfs/dbraw/zinc/83/97/82/172839782.db2.gz QOQXJOAATMOCBB-QWRGUYRKSA-N 1 2 275.314 4.474 10 0 CIAELO Cc1ccc(C)c(OCCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000040224036 174207340 /nfs/dbraw/zinc/20/73/40/174207340.db2.gz BVZQHPRICRXRAG-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO Cc1cc(Nc2cccc(F)c2)[nH+]c2ccccc12 ZINC000040400816 174253223 /nfs/dbraw/zinc/25/32/23/174253223.db2.gz MAYYAJPKTREWFC-UHFFFAOYSA-N 1 2 252.292 4.426 10 0 CIAELO C[C@H]([N@H+](C)c1ccc(N)c(C(F)(F)F)c1)C(C)(C)C ZINC000042739733 174861318 /nfs/dbraw/zinc/86/13/18/174861318.db2.gz NRMPQRQEAQTTDD-VIFPVBQESA-N 1 2 274.330 4.158 10 0 CIAELO C[C@H]([N@@H+](C)c1ccc(N)c(C(F)(F)F)c1)C(C)(C)C ZINC000042739733 174861320 /nfs/dbraw/zinc/86/13/20/174861320.db2.gz NRMPQRQEAQTTDD-VIFPVBQESA-N 1 2 274.330 4.158 10 0 CIAELO CCc1cccc(CC)c1NC1=[NH+]C[C@@H](C2CC2)S1 ZINC000071306737 176115905 /nfs/dbraw/zinc/11/59/05/176115905.db2.gz HZFRNLVSBPFBED-AWEZNQCLSA-N 1 2 274.433 4.105 10 0 CIAELO Cc1cc[nH+]cc1NC1CC(c2ccccc2Cl)C1 ZINC000071413675 176159154 /nfs/dbraw/zinc/15/91/54/176159154.db2.gz MGKDRFHJMOGQBP-UHFFFAOYSA-N 1 2 272.779 4.402 10 0 CIAELO Cc1ccc(SCc2[nH+]ccn2C(C)C)cc1C ZINC000171677723 335074158 /nfs/dbraw/zinc/07/41/58/335074158.db2.gz RWZQYMPAHWMSNL-UHFFFAOYSA-N 1 2 260.406 4.373 10 0 CIAELO C[C@H]([NH2+]Cc1noc(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000154399147 261091134 /nfs/dbraw/zinc/09/11/34/261091134.db2.gz JNKWJRHJJDXGSX-LBPRGKRZSA-N 1 2 299.418 4.095 10 0 CIAELO CCn1cc[nH+]c1CSCc1cc(C)sc1C ZINC000175293907 261216622 /nfs/dbraw/zinc/21/66/22/261216622.db2.gz MYJNDQODFSPUNH-UHFFFAOYSA-N 1 2 266.435 4.015 10 0 CIAELO CC(C)N(Cc1[nH+]ccn1C(C)C)c1ccc(F)cc1 ZINC000103473163 261284278 /nfs/dbraw/zinc/28/42/78/261284278.db2.gz GMJJAHYYTGDZSE-UHFFFAOYSA-N 1 2 275.371 4.018 10 0 CIAELO Cc1cnc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)o1 ZINC000181407182 261430220 /nfs/dbraw/zinc/43/02/20/261430220.db2.gz HYQKCQWIKHECCB-CQSZACIVSA-N 1 2 272.392 4.032 10 0 CIAELO CCn1cc[nH+]c1CSCc1ccc(Cl)c(F)c1 ZINC000190805891 264969346 /nfs/dbraw/zinc/96/93/46/264969346.db2.gz QBDUHLPJIHGNGN-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO CC(C)n1cc[nH+]c1CSCc1c(F)cccc1F ZINC000182838010 329245550 /nfs/dbraw/zinc/24/55/50/329245550.db2.gz CCVOVEOXBKAKNV-UHFFFAOYSA-N 1 2 282.359 4.176 10 0 CIAELO CCn1cc[nH+]c1CS[C@@H](C)c1ccc(F)cc1 ZINC000171753335 329080108 /nfs/dbraw/zinc/08/01/08/329080108.db2.gz VHLHSOIFBQXEED-NSHDSACASA-N 1 2 264.369 4.037 10 0 CIAELO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748715 329176573 /nfs/dbraw/zinc/17/65/73/329176573.db2.gz PJOUPFFEIQASCN-QWHCGFSZSA-N 1 2 297.358 4.050 10 0 CIAELO c1coc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597578 329210197 /nfs/dbraw/zinc/21/01/97/329210197.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 2 293.370 4.007 10 0 CIAELO c1coc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597578 329210199 /nfs/dbraw/zinc/21/01/99/329210199.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 2 293.370 4.007 10 0 CIAELO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccn1 ZINC000179620884 329210607 /nfs/dbraw/zinc/21/06/07/329210607.db2.gz KVQVWZBKLWXHRC-LBPRGKRZSA-N 1 2 298.777 4.094 10 0 CIAELO Cc1ccc(-c2n[nH]cc2CNc2ccc(C)[nH+]c2C)cc1 ZINC000184900179 329263790 /nfs/dbraw/zinc/26/37/90/329263790.db2.gz LTZQLWNHHLKTBO-UHFFFAOYSA-N 1 2 292.386 4.009 10 0 CIAELO CC[C@@H](c1ccccc1)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371449 330337231 /nfs/dbraw/zinc/33/72/31/330337231.db2.gz VZGXNGAKQGLOJS-KRWDZBQOSA-N 1 2 297.446 4.053 10 0 CIAELO CC[C@H](SCc1[nH+]ccn1CC)c1ccccc1 ZINC000175295417 333020231 /nfs/dbraw/zinc/02/02/31/333020231.db2.gz UMDNAODYVYKELO-AWEZNQCLSA-N 1 2 260.406 4.288 10 0 CIAELO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H]1CCC1(C)C ZINC000311667708 333071039 /nfs/dbraw/zinc/07/10/39/333071039.db2.gz XULLVFNZHJICAN-MRXNPFEDSA-N 1 2 258.409 4.196 10 0 CIAELO Cc1cc[nH+]c(N[C@@H](C)c2cccs2)c1Br ZINC000235542332 333370727 /nfs/dbraw/zinc/37/07/27/333370727.db2.gz OACPIJWGEVHXEX-VIFPVBQESA-N 1 2 297.221 4.387 10 0 CIAELO CCc1cnc([C@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)s1 ZINC000134929380 334108908 /nfs/dbraw/zinc/10/89/08/334108908.db2.gz MUAFOQQVLLKECV-NSHDSACASA-N 1 2 290.436 4.100 10 0 CIAELO CCCCCC[C@H](C)OCc1ccc[nH+]c1NCC ZINC000052755188 520132375 /nfs/dbraw/zinc/13/23/75/520132375.db2.gz FTHQNDSQSLSNIF-AWEZNQCLSA-N 1 2 264.413 4.389 10 0 CIAELO Cc1cc([C@H](C)Nc2ccc([NH3+])cc2C)c(C)s1 ZINC000049506154 525532653 /nfs/dbraw/zinc/53/26/53/525532653.db2.gz ZNNXERJJYKJLRT-NSHDSACASA-N 1 2 260.406 4.429 10 0 CIAELO Cc1ccc([C@@H]([NH3+])c2oc3ccc(Cl)cc3c2C)o1 ZINC000050211286 525768752 /nfs/dbraw/zinc/76/87/52/525768752.db2.gz DHPHLKGUOIFOKU-CQSZACIVSA-N 1 2 275.735 4.344 10 0 CIAELO CCOc1cc([NH2+][C@H](C)CCCC(C)C)ccc1N ZINC000104237107 185939451 /nfs/dbraw/zinc/93/94/51/185939451.db2.gz UYNWBGKZBKJIRD-CYBMUJFWSA-N 1 2 264.413 4.294 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1ccc(F)cc1F ZINC000175292693 261216555 /nfs/dbraw/zinc/21/65/55/261216555.db2.gz QQSWMWKMALRRPV-SNVBAGLBSA-N 1 2 282.359 4.176 10 0 CIAELO CCn1c[nH+]cc1-c1cccc(OCc2ccccc2)c1 ZINC000005115261 170067158 /nfs/dbraw/zinc/06/71/58/170067158.db2.gz WKWGFDWONXCGLQ-UHFFFAOYSA-N 1 2 278.355 4.149 10 0 CIAELO Clc1ccc(CNc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000005117306 170067799 /nfs/dbraw/zinc/06/77/99/170067799.db2.gz XSEISCCZWTVSRP-UHFFFAOYSA-N 1 2 297.789 4.197 10 0 CIAELO CC[NH+](CC)c1ccc(Cc2ccc(OC)cc2OC)cc1 ZINC000005311801 170085050 /nfs/dbraw/zinc/08/50/50/170085050.db2.gz FABUYNTWEOIODY-UHFFFAOYSA-N 1 2 299.414 4.141 10 0 CIAELO CC[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129460 171018245 /nfs/dbraw/zinc/01/82/45/171018245.db2.gz XPAPJJOCQJQYTA-HZPDHXFCSA-N 1 2 288.460 4.092 10 0 CIAELO Nc1ccc[nH+]c1Nc1cc(C(F)(F)F)ccc1Cl ZINC000020317634 171147888 /nfs/dbraw/zinc/14/78/88/171147888.db2.gz YHINXFHASRPRJW-UHFFFAOYSA-N 1 2 287.672 4.080 10 0 CIAELO COc1cc(OC)c([NH2+]C2CCC(C)CC2)cc1Cl ZINC000020565064 171253383 /nfs/dbraw/zinc/25/33/83/171253383.db2.gz JXAJGYXXADZSRY-UHFFFAOYSA-N 1 2 283.799 4.348 10 0 CIAELO COc1cc(OC)c([NH2+]C2CCCCCC2)cc1Cl ZINC000021817535 171333466 /nfs/dbraw/zinc/33/34/66/171333466.db2.gz UOAPNTSLEDRJQJ-UHFFFAOYSA-N 1 2 283.799 4.492 10 0 CIAELO Nc1ccc(Sc2ccc(F)cc2)c2cc[nH+]cc12 ZINC000035333305 172131934 /nfs/dbraw/zinc/13/19/34/172131934.db2.gz MSTJDVPFFSKCRK-UHFFFAOYSA-N 1 2 270.332 4.107 10 0 CIAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)c1ccccc1 ZINC000040231412 174209779 /nfs/dbraw/zinc/20/97/79/174209779.db2.gz KFKDXCPRRROCEY-UHFFFAOYSA-N 1 2 278.355 4.043 10 0 CIAELO OCCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040402370 174253580 /nfs/dbraw/zinc/25/35/80/174253580.db2.gz XZDQISWIXVJTBB-UHFFFAOYSA-N 1 2 292.810 4.120 10 0 CIAELO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccc(C(C)(C)C)cc1 ZINC000154399268 261091063 /nfs/dbraw/zinc/09/10/63/261091063.db2.gz JNKWJRHJJDXGSX-GFCCVEGCSA-N 1 2 299.418 4.095 10 0 CIAELO C[C@@H](Nc1ccc2ccccc2[nH+]1)c1cccc(O)c1 ZINC000174719423 261194197 /nfs/dbraw/zinc/19/41/97/261194197.db2.gz RGKKTUKCOARICX-GFCCVEGCSA-N 1 2 264.328 4.114 10 0 CIAELO Cc1cccc(CSCc2[nH+]ccn2C(C)C)c1 ZINC000175275041 261218418 /nfs/dbraw/zinc/21/84/18/261218418.db2.gz WZGAUHBSIHUWMY-UHFFFAOYSA-N 1 2 260.406 4.206 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000120383595 267436518 /nfs/dbraw/zinc/43/65/18/267436518.db2.gz QHUDGEGNPORANR-SJCJKPOMSA-N 1 2 295.386 4.150 10 0 CIAELO COc1ccc(CSCc2[nH+]ccn2C(C)C)cc1F ZINC000175273562 327780661 /nfs/dbraw/zinc/78/06/61/327780661.db2.gz QLVBXIMQUDYCOZ-UHFFFAOYSA-N 1 2 294.395 4.045 10 0 CIAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccn(C(C)C)n2)o1 ZINC000172870089 329139359 /nfs/dbraw/zinc/13/93/59/329139359.db2.gz DMXIBVXXLMDDRU-MRXNPFEDSA-N 1 2 287.407 4.093 10 0 CIAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccn(C(C)C)n2)o1 ZINC000172870089 329139360 /nfs/dbraw/zinc/13/93/60/329139360.db2.gz DMXIBVXXLMDDRU-MRXNPFEDSA-N 1 2 287.407 4.093 10 0 CIAELO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611477 329201402 /nfs/dbraw/zinc/20/14/02/329201402.db2.gz RYRVICAWRZLLBV-KSSFIOAISA-N 1 2 278.355 4.115 10 0 CIAELO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccccn1 ZINC000179620894 329210760 /nfs/dbraw/zinc/21/07/60/329210760.db2.gz KVQVWZBKLWXHRC-GFCCVEGCSA-N 1 2 298.777 4.094 10 0 CIAELO Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000044296235 330327215 /nfs/dbraw/zinc/32/72/15/330327215.db2.gz DBVHDBZQOYXFSB-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000121166457 330396941 /nfs/dbraw/zinc/39/69/41/330396941.db2.gz KPQBLKQQOYTMLK-GFCCVEGCSA-N 1 2 290.432 4.371 10 0 CIAELO CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]2c2ccco2)n1 ZINC000121166457 330396942 /nfs/dbraw/zinc/39/69/42/330396942.db2.gz KPQBLKQQOYTMLK-GFCCVEGCSA-N 1 2 290.432 4.371 10 0 CIAELO Cc1ccc(N[C@@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000164695609 331287248 /nfs/dbraw/zinc/28/72/48/331287248.db2.gz PQFXMEPBXZJPEU-QGZVFWFLSA-N 1 2 277.371 4.361 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C)s2)o1 ZINC000227556456 333285807 /nfs/dbraw/zinc/28/58/07/333285807.db2.gz CBSIKXWYEFAIKR-LLVKDONJSA-N 1 2 278.421 4.193 10 0 CIAELO Cc1cc[nH+]c(N[C@H](C)c2cccs2)c1Br ZINC000235291643 333367314 /nfs/dbraw/zinc/36/73/14/333367314.db2.gz OACPIJWGEVHXEX-SECBINFHSA-N 1 2 297.221 4.387 10 0 CIAELO CCc1cnc([C@H](C)Nc2ccc3ccccc3[nH+]2)s1 ZINC000134925410 334108576 /nfs/dbraw/zinc/10/85/76/334108576.db2.gz IIDKHVGACVQKOF-NSHDSACASA-N 1 2 283.400 4.427 10 0 CIAELO CCNc1ccc(COc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000050831145 520304467 /nfs/dbraw/zinc/30/44/67/520304467.db2.gz OXTSONHIQCXWKE-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CNc1cc(COc2ccc(Cl)cc2Cl)cc[nH+]1 ZINC000052754543 522567649 /nfs/dbraw/zinc/56/76/49/522567649.db2.gz CTDRNYJYIVEXOG-UHFFFAOYSA-N 1 2 283.158 4.009 10 0 CIAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000076292072 519887790 /nfs/dbraw/zinc/88/77/90/519887790.db2.gz BPXFKMBUJLXMBQ-ZDUSSCGKSA-N 1 2 287.407 4.167 10 0 CIAELO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000248158424 519908942 /nfs/dbraw/zinc/90/89/42/519908942.db2.gz FHACPOLQVGDWEQ-WDEREUQCSA-N 1 2 293.798 4.258 10 0 CIAELO CCNc1c(C)c(C)[nH+]c2c(F)c(Cl)ccc12 ZINC000050868517 520255486 /nfs/dbraw/zinc/25/54/86/520255486.db2.gz VUSYPOYUINKWMR-UHFFFAOYSA-N 1 2 252.720 4.076 10 0 CIAELO CCNc1cc(CS[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000054696023 520273036 /nfs/dbraw/zinc/27/30/36/520273036.db2.gz BHJFTXCWLGAWQE-OCCSQVGLSA-N 1 2 264.438 4.325 10 0 CIAELO CCS[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226804365 521732832 /nfs/dbraw/zinc/73/28/32/521732832.db2.gz CLPUKKQFQKNSSJ-MNOVXSKESA-N 1 2 290.354 4.187 10 0 CIAELO CNc1cc(COc2cc(Cl)ccc2Cl)cc[nH+]1 ZINC000052734381 522566784 /nfs/dbraw/zinc/56/67/84/522566784.db2.gz MBVSIEMEIRFPRK-UHFFFAOYSA-N 1 2 283.158 4.009 10 0 CIAELO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127672474 523925833 /nfs/dbraw/zinc/92/58/33/523925833.db2.gz QSXMHNADFIBLAS-CQSZACIVSA-N 1 2 276.405 4.026 10 0 CIAELO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127672474 523925838 /nfs/dbraw/zinc/92/58/38/523925838.db2.gz QSXMHNADFIBLAS-CQSZACIVSA-N 1 2 276.405 4.026 10 0 CIAELO Cc1csc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130982858 526343189 /nfs/dbraw/zinc/34/31/89/526343189.db2.gz RZWKIECNDBCLBE-ZDUSSCGKSA-N 1 2 276.405 4.080 10 0 CIAELO Cc1csc(C[N@@H+]2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130982858 526343193 /nfs/dbraw/zinc/34/31/93/526343193.db2.gz RZWKIECNDBCLBE-ZDUSSCGKSA-N 1 2 276.405 4.080 10 0 CIAELO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953240 527034138 /nfs/dbraw/zinc/03/41/38/527034138.db2.gz XIEVACMNDQDUAB-RKDXNWHRSA-N 1 2 282.359 4.142 10 0 CIAELO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953239 527066252 /nfs/dbraw/zinc/06/62/52/527066252.db2.gz XIEVACMNDQDUAB-IUCAKERBSA-N 1 2 282.359 4.142 10 0 CIAELO Cc1[nH+]c[nH]c1CNc1ccccc1-c1cccs1 ZINC000054795699 527216094 /nfs/dbraw/zinc/21/60/94/527216094.db2.gz ZCSGDZXSYRGAOF-UHFFFAOYSA-N 1 2 269.373 4.059 10 0 CIAELO Nc1[nH+]cccc1CSc1ccc2ccccc2c1 ZINC000052756357 527569555 /nfs/dbraw/zinc/56/95/55/527569555.db2.gz PVOYHIARPSABBE-UHFFFAOYSA-N 1 2 266.369 4.109 10 0 CIAELO CC[NH2+]c1ccc(N2CCC(C)CC2)c(Br)c1 ZINC000226285051 567041142 /nfs/dbraw/zinc/04/11/42/567041142.db2.gz PJFUPILOKWLNRU-UHFFFAOYSA-N 1 2 297.240 4.117 10 0 CIAELO Cc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)c(C)c1 ZINC000073638581 567893359 /nfs/dbraw/zinc/89/33/59/567893359.db2.gz UYDOXCIACWPLIR-UHFFFAOYSA-N 1 2 250.345 4.464 10 0 CIAELO CCc1[nH+]c(C)n(C)c1Sc1cc(C)cc(C)c1 ZINC000005886894 170150302 /nfs/dbraw/zinc/15/03/02/170150302.db2.gz RTWXCHWGUXTCTR-UHFFFAOYSA-N 1 2 260.406 4.059 10 0 CIAELO c1[nH]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[nH+]1 ZINC000009243254 170368145 /nfs/dbraw/zinc/36/81/45/170368145.db2.gz MLGCQZCDRQNUGF-UHFFFAOYSA-N 1 2 252.361 4.031 10 0 CIAELO Nc1cc(-c2ccccc2)[nH+]c2ccc(Cl)cc12 ZINC000019721354 170843282 /nfs/dbraw/zinc/84/32/82/170843282.db2.gz UFZPHDDHXDVTNZ-UHFFFAOYSA-N 1 2 254.720 4.137 10 0 CIAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)o1 ZINC000020136193 171023622 /nfs/dbraw/zinc/02/36/22/171023622.db2.gz XWOZGZXQHWJYBO-LLVKDONJSA-N 1 2 272.373 4.049 10 0 CIAELO CCC(CC)C[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020564423 171253547 /nfs/dbraw/zinc/25/35/47/171253547.db2.gz UDNBXGNNFQJLPE-UHFFFAOYSA-N 1 2 271.788 4.205 10 0 CIAELO C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(OC(F)F)cc1 ZINC000021011873 171287493 /nfs/dbraw/zinc/28/74/93/171287493.db2.gz PBBILEZTBDQJDX-ZWNOBZJWSA-N 1 2 255.308 4.279 10 0 CIAELO COc1cc(OC)c([NH2+][C@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021790241 171323993 /nfs/dbraw/zinc/32/39/93/171323993.db2.gz FGSSMLDXVQUOFA-MNOVXSKESA-N 1 2 283.799 4.348 10 0 CIAELO C[NH2+][C@@H](c1cc(F)ccc1F)c1c(F)cccc1Cl ZINC000035468834 172218701 /nfs/dbraw/zinc/21/87/01/172218701.db2.gz RSWVTLAEHWQXOZ-AWEZNQCLSA-N 1 2 285.696 4.066 10 0 CIAELO Nc1ccc(SCc2cccc3ccccc32)c[nH+]1 ZINC000037192655 173022095 /nfs/dbraw/zinc/02/20/95/173022095.db2.gz CUZUIIDZCSWECE-UHFFFAOYSA-N 1 2 266.369 4.109 10 0 CIAELO C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254855 173066247 /nfs/dbraw/zinc/06/62/47/173066247.db2.gz IOARMVVOVAVCNJ-NXEZZACHSA-N 1 2 272.314 4.278 10 0 CIAELO CCOc1ccc([NH2+]CCC(C)(C)C)cc1OCC ZINC000037488576 173230870 /nfs/dbraw/zinc/23/08/70/173230870.db2.gz HHHUINZRBBDZRJ-UHFFFAOYSA-N 1 2 265.397 4.332 10 0 CIAELO Cc1[nH]c(-c2ccccc2-c2nc3ccccc3[nH]2)[nH+]c1C ZINC000038314876 174139279 /nfs/dbraw/zinc/13/92/79/174139279.db2.gz DUVSGSHFGWUNFD-UHFFFAOYSA-N 1 2 288.354 4.237 10 0 CIAELO Clc1cccc2c(NNc3ccccc3)cc[nH+]c12 ZINC000039963764 174179625 /nfs/dbraw/zinc/17/96/25/174179625.db2.gz WOAASRZXHYFENV-UHFFFAOYSA-N 1 2 269.735 4.327 10 0 CIAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CC(C)C)c2c1 ZINC000040177080 174202521 /nfs/dbraw/zinc/20/25/21/174202521.db2.gz CRPDYCJOHOPMQU-UHFFFAOYSA-N 1 2 270.376 4.145 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1ccc(C)cc1C ZINC000040224668 174207963 /nfs/dbraw/zinc/20/79/63/174207963.db2.gz MRCRAUPOOPIMMG-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO CCN(CC)c1nc(NC2CCCCC2)c2ccccc2[nH+]1 ZINC000041152754 174499432 /nfs/dbraw/zinc/49/94/32/174499432.db2.gz CYYQADVCGBFVRW-UHFFFAOYSA-N 1 2 298.434 4.221 10 0 CIAELO CCOc1ccc2[nH+]c(Nc3ccc(Cl)cc3)[nH]c2c1 ZINC000045918807 175386357 /nfs/dbraw/zinc/38/63/57/175386357.db2.gz WRKZEZHBKMGQSD-UHFFFAOYSA-N 1 2 287.750 4.359 10 0 CIAELO Cc1cc[nH+]cc1NCc1ccc(C(C)(C)C)cc1 ZINC000071412953 176158337 /nfs/dbraw/zinc/15/83/37/176158337.db2.gz DVJKTKGGZZVJTO-UHFFFAOYSA-N 1 2 254.377 4.300 10 0 CIAELO Clc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000301272631 227494995 /nfs/dbraw/zinc/49/49/95/227494995.db2.gz VTTSRHBTNNFOLF-CQSZACIVSA-N 1 2 285.778 4.107 10 0 CIAELO CC(C)n1cc[nH+]c1CSCc1cccc(F)c1F ZINC000175277373 261218271 /nfs/dbraw/zinc/21/82/71/261218271.db2.gz FRECCHQOBUUMMQ-UHFFFAOYSA-N 1 2 282.359 4.176 10 0 CIAELO CC(C)n1cc[nH+]c1CSCCc1ccc(F)c(F)c1 ZINC000129362592 328035120 /nfs/dbraw/zinc/03/51/20/328035120.db2.gz OENKRQQSZKVTIE-UHFFFAOYSA-N 1 2 296.386 4.218 10 0 CIAELO FC(F)(F)CCCCNc1ccc2ccccc2[nH+]1 ZINC000128947028 327154951 /nfs/dbraw/zinc/15/49/51/327154951.db2.gz CIYYKYNAHYDULR-UHFFFAOYSA-N 1 2 268.282 4.379 10 0 CIAELO CCn1cc[nH+]c1CS[C@@H](C)c1c(F)cccc1F ZINC000171753326 329080147 /nfs/dbraw/zinc/08/01/47/329080147.db2.gz AUHKFDDNURTFDV-JTQLQIEISA-N 1 2 282.359 4.176 10 0 CIAELO Cc1ccc([C@@H]2CCCCN2c2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000172766142 329138589 /nfs/dbraw/zinc/13/85/89/329138589.db2.gz UKUCIDCFGKMVTP-HNNXBMFYSA-N 1 2 297.402 4.295 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2Cl)o1 ZINC000230647819 329368003 /nfs/dbraw/zinc/36/80/03/329368003.db2.gz BNHFTDCWZNGSTR-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO Cc1cc([C@@H](C)[NH2+][C@H](C)c2csc(C)n2)c(C)o1 ZINC000044729763 329593600 /nfs/dbraw/zinc/59/36/00/329593600.db2.gz SKUYHKZEMUECDE-NXEZZACHSA-N 1 2 264.394 4.073 10 0 CIAELO Cc1cc(N[C@H](C)c2cccs2)nc(-c2ccncc2)[nH+]1 ZINC000140869712 329679914 /nfs/dbraw/zinc/67/99/14/329679914.db2.gz SEUHBBHXFCGAGY-GFCCVEGCSA-N 1 2 296.399 4.082 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(CC(C)C)cc2)o1 ZINC000227555826 333285575 /nfs/dbraw/zinc/28/55/75/333285575.db2.gz MHYUNSLBVRWPPM-AWEZNQCLSA-N 1 2 272.392 4.032 10 0 CIAELO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc(Cl)s1 ZINC000079045634 334146300 /nfs/dbraw/zinc/14/63/00/334146300.db2.gz QODFZXSSYXHVRC-SECBINFHSA-N 1 2 291.807 4.461 10 0 CIAELO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccoc1 ZINC000183030656 335857372 /nfs/dbraw/zinc/85/73/72/335857372.db2.gz WBKQBSUZQKMNJO-LLVKDONJSA-N 1 2 287.750 4.292 10 0 CIAELO CCNc1cc(CS[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000054696021 520271878 /nfs/dbraw/zinc/27/18/78/520271878.db2.gz BHJFTXCWLGAWQE-TZMCWYRMSA-N 1 2 264.438 4.325 10 0 CIAELO CCNc1ccc(CSc2ccc(F)cc2F)c[nH+]1 ZINC000050837886 520304446 /nfs/dbraw/zinc/30/44/46/520304446.db2.gz NHDRZTYXEYSUDC-UHFFFAOYSA-N 1 2 280.343 4.084 10 0 CIAELO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)n1 ZINC000248158422 519910859 /nfs/dbraw/zinc/91/08/59/519910859.db2.gz FHACPOLQVGDWEQ-QWRGUYRKSA-N 1 2 293.798 4.258 10 0 CIAELO CNc1nc(-c2ccc(Cl)c(Cl)c2)[nH+]c(C)c1C ZINC000050865868 522674867 /nfs/dbraw/zinc/67/48/67/522674867.db2.gz SCGGJGWWUFESFU-UHFFFAOYSA-N 1 2 282.174 4.109 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1cccc(Cl)c1 ZINC000049515114 525038277 /nfs/dbraw/zinc/03/82/77/525038277.db2.gz PTHSVIYZSRKVAY-NSHDSACASA-N 1 2 260.768 4.404 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccccc1Cl ZINC000049506550 525039851 /nfs/dbraw/zinc/03/98/51/525039851.db2.gz HPTPBSFJCWUEEB-NSHDSACASA-N 1 2 260.768 4.404 10 0 CIAELO C[C@H](Nc1cccc[nH+]1)c1cccc(Br)c1 ZINC000037998872 525673398 /nfs/dbraw/zinc/67/33/98/525673398.db2.gz VYBYCADCXDLDJV-JTQLQIEISA-N 1 2 277.165 4.017 10 0 CIAELO CC(C)(C)C(=O)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095115852 567128688 /nfs/dbraw/zinc/12/86/88/567128688.db2.gz WMJRHDDXDSEJJP-UHFFFAOYSA-N 1 2 282.387 4.098 10 0 CIAELO c1ccc(-c2[nH+]c(-c3ccncc3)n3ccccc23)cc1 ZINC000000340085 567825942 /nfs/dbraw/zinc/82/59/42/567825942.db2.gz LHMNPHKPCRKDRD-UHFFFAOYSA-N 1 2 271.323 4.063 10 0 CIAELO Oc1ccc(CNc2c[nH+]ccc2Oc2ccccc2)cc1 ZINC000095828701 185028575 /nfs/dbraw/zinc/02/85/75/185028575.db2.gz SYMHKGUVZRDEIV-UHFFFAOYSA-N 1 2 292.338 4.192 10 0 CIAELO Nc1cccc(-c2c[nH]c(CCC3CCCCC3)[nH+]2)c1 ZINC000090600418 180011015 /nfs/dbraw/zinc/01/10/15/180011015.db2.gz ABXFXTIGLUWQNU-UHFFFAOYSA-N 1 2 269.392 4.172 10 0 CIAELO C1=C(c2ccc(-c3ccccc3)cc2)SC2=[NH+]CCN12 ZINC000003256225 169872537 /nfs/dbraw/zinc/87/25/37/169872537.db2.gz PRAINSWTJUJHAV-UHFFFAOYSA-N 1 2 278.380 4.070 10 0 CIAELO CCCCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000006856774 170250267 /nfs/dbraw/zinc/25/02/67/170250267.db2.gz XTIWVKZGZGSGBV-UHFFFAOYSA-N 1 2 279.387 4.449 10 0 CIAELO c1ccc(Oc2ccc(NC3=[NH+]CCCS3)cc2)cc1 ZINC000008702131 170347175 /nfs/dbraw/zinc/34/71/75/170347175.db2.gz FJLXRDZRFAEKEZ-UHFFFAOYSA-N 1 2 284.384 4.384 10 0 CIAELO Nc1ccc[nH+]c1Nc1ccccc1Oc1ccccc1 ZINC000020317585 171147735 /nfs/dbraw/zinc/14/77/35/171147735.db2.gz KSFZLYDMBSSBKB-UHFFFAOYSA-N 1 2 277.327 4.200 10 0 CIAELO Nc1ccc[nH+]c1Nc1cc(Cl)c(Cl)cc1Cl ZINC000020317780 171147836 /nfs/dbraw/zinc/14/78/36/171147836.db2.gz LXIBIMDZZVMJLE-UHFFFAOYSA-N 1 2 288.565 4.368 10 0 CIAELO [NH3+]C(c1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000020369153 171167062 /nfs/dbraw/zinc/16/70/62/171167062.db2.gz DXQPRLIHAOPJCX-UHFFFAOYSA-N 1 2 263.296 4.227 10 0 CIAELO CC[C@@H](C)[C@@H](C)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020558847 171251051 /nfs/dbraw/zinc/25/10/51/171251051.db2.gz UUOBGEUWKZKQFR-NXEZZACHSA-N 1 2 271.788 4.204 10 0 CIAELO CCCCC[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000021807759 171328353 /nfs/dbraw/zinc/32/83/53/171328353.db2.gz YUZBJRNUABLLSR-LBPRGKRZSA-N 1 2 251.370 4.085 10 0 CIAELO [NH3+][C@H](c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000035185281 172038698 /nfs/dbraw/zinc/03/86/98/172038698.db2.gz OFQKYJWIGHKPHL-CYBMUJFWSA-N 1 2 263.749 4.196 10 0 CIAELO FC(F)(F)COc1ccc([NH2+]CCc2ccccc2)cc1 ZINC000035224556 172068998 /nfs/dbraw/zinc/06/89/98/172068998.db2.gz WYNZZKNICNHNHG-UHFFFAOYSA-N 1 2 295.304 4.282 10 0 CIAELO Nc1ccc(Oc2ccc(Cl)cc2)c2cc[nH+]cc12 ZINC000035333033 172131391 /nfs/dbraw/zinc/13/13/91/172131391.db2.gz KNQGGEFIMQBJER-UHFFFAOYSA-N 1 2 270.719 4.263 10 0 CIAELO CCC[NH2+][C@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035573042 172269135 /nfs/dbraw/zinc/26/91/35/172269135.db2.gz KERSMVQBTYJDDL-SECBINFHSA-N 1 2 287.297 4.295 10 0 CIAELO CC(C)[C@H](Nc1ccc(N(C)C)[nH+]c1)c1cccs1 ZINC000037283850 173091128 /nfs/dbraw/zinc/09/11/28/173091128.db2.gz IPRXAWKFXUGLKN-HNNXBMFYSA-N 1 2 275.421 4.018 10 0 CIAELO C[C@@H](C(=O)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H]1C ZINC000037911696 173844539 /nfs/dbraw/zinc/84/45/39/173844539.db2.gz GCRVBZVYMZMVEN-ZJUUUORDSA-N 1 2 286.202 4.049 10 0 CIAELO C[C@@H](C(=O)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H]1C ZINC000037911696 173844541 /nfs/dbraw/zinc/84/45/41/173844541.db2.gz GCRVBZVYMZMVEN-ZJUUUORDSA-N 1 2 286.202 4.049 10 0 CIAELO CC1(C)[C@@]2(c3ccccc3)[NH+]=Cc3ccccc3[C@@]12C ZINC000039172274 174165139 /nfs/dbraw/zinc/16/51/39/174165139.db2.gz MGDVPYFFVJRRLO-RBUKOAKNSA-N 1 2 261.368 4.312 10 0 CIAELO CCCCCCn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310915 174230669 /nfs/dbraw/zinc/23/06/69/174230669.db2.gz MEYODKXRHZOOFJ-UHFFFAOYSA-N 1 2 288.435 4.158 10 0 CIAELO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409564 174253983 /nfs/dbraw/zinc/25/39/83/174253983.db2.gz SBTKBIRZVWGGGW-UHFFFAOYSA-N 1 2 280.249 4.005 10 0 CIAELO CC(C)Cn1c2cc(Cl)ccc2[nH+]c1C(C)C ZINC000040417659 174256128 /nfs/dbraw/zinc/25/61/28/174256128.db2.gz BALIYODBDRXUQI-UHFFFAOYSA-N 1 2 250.773 4.469 10 0 CIAELO CCc1cccc(CC)c1NC1=[NH+]C[C@H](C2CC2)S1 ZINC000071306735 176115923 /nfs/dbraw/zinc/11/59/23/176115923.db2.gz HZFRNLVSBPFBED-CQSZACIVSA-N 1 2 274.433 4.105 10 0 CIAELO CCCCc1nc(CSCc2[nH+]ccn2CC)cs1 ZINC000175293233 261216589 /nfs/dbraw/zinc/21/65/89/261216589.db2.gz LTRNVOXIEHMRKB-UHFFFAOYSA-N 1 2 295.477 4.136 10 0 CIAELO CC(C)n1cc[nH+]c1CSCc1cc(F)ccc1F ZINC000175290556 261219159 /nfs/dbraw/zinc/21/91/59/261219159.db2.gz LPVVTCONDNWJMI-UHFFFAOYSA-N 1 2 282.359 4.176 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1cccc(C)c1 ZINC000175301401 261220853 /nfs/dbraw/zinc/22/08/53/261220853.db2.gz ITUVWZXZLUKIPS-CYBMUJFWSA-N 1 2 260.406 4.206 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1c(F)cccc1F ZINC000171753330 329080125 /nfs/dbraw/zinc/08/01/25/329080125.db2.gz AUHKFDDNURTFDV-SNVBAGLBSA-N 1 2 282.359 4.176 10 0 CIAELO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177684195 329189026 /nfs/dbraw/zinc/18/90/26/329189026.db2.gz WNBWSMSMTHXBHB-QWHCGFSZSA-N 1 2 288.391 4.463 10 0 CIAELO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177684195 329189027 /nfs/dbraw/zinc/18/90/27/329189027.db2.gz WNBWSMSMTHXBHB-QWHCGFSZSA-N 1 2 288.391 4.463 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(Cl)c2Cl)o1 ZINC000220925974 329204100 /nfs/dbraw/zinc/20/41/00/329204100.db2.gz PXELESZBAPMAMR-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO Cc1nc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)oc1C ZINC000154306485 330656482 /nfs/dbraw/zinc/65/64/82/330656482.db2.gz MVESDATULYNAKX-CQSZACIVSA-N 1 2 286.419 4.341 10 0 CIAELO CCc1cccc(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000188979128 333176909 /nfs/dbraw/zinc/17/69/09/333176909.db2.gz WHRSAFBKKYLJSQ-INIZCTEOSA-N 1 2 299.418 4.093 10 0 CIAELO CCc1cccc(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000188979128 333176910 /nfs/dbraw/zinc/17/69/10/333176910.db2.gz WHRSAFBKKYLJSQ-INIZCTEOSA-N 1 2 299.418 4.093 10 0 CIAELO CCS[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226804381 333269869 /nfs/dbraw/zinc/26/98/69/333269869.db2.gz CLPUKKQFQKNSSJ-QWRGUYRKSA-N 1 2 290.354 4.187 10 0 CIAELO CCS[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000230922471 333322677 /nfs/dbraw/zinc/32/26/77/333322677.db2.gz YFPWGQRICIHSLA-UONOGXRCSA-N 1 2 272.417 4.321 10 0 CIAELO CC(C)(C)c1ccc2[nH+]c(C(F)F)cc(N)c2c1 ZINC000061629715 519053186 /nfs/dbraw/zinc/05/31/86/519053186.db2.gz LSBQMANPNSHEND-UHFFFAOYSA-N 1 2 250.292 4.052 10 0 CIAELO CCCNc1ccc(COc2cccc(Cl)c2)c[nH+]1 ZINC000050831127 520160230 /nfs/dbraw/zinc/16/02/30/520160230.db2.gz SICDOXNKFGWQAB-UHFFFAOYSA-N 1 2 276.767 4.136 10 0 CIAELO CCCNc1[nH+]cccc1COc1ccc(Cl)cc1 ZINC000052734586 520196679 /nfs/dbraw/zinc/19/66/79/520196679.db2.gz GPHZNRAZDGJPDB-UHFFFAOYSA-N 1 2 276.767 4.136 10 0 CIAELO CCNc1[nH+]cccc1COc1cc(Cl)cc(Cl)c1 ZINC000052755504 520377632 /nfs/dbraw/zinc/37/76/32/520377632.db2.gz GSJUBNLDXYZMJP-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CCNc1[nH+]cccc1COc1cc(Cl)ccc1Cl ZINC000052734374 520377886 /nfs/dbraw/zinc/37/78/86/520377886.db2.gz PADDSKPNVJCDGT-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CNc1cc(C(C)C)[nH+]c(-c2ccc(F)c(Cl)c2)n1 ZINC000062793283 522563183 /nfs/dbraw/zinc/56/31/83/522563183.db2.gz OOSIVXDQYWLEFK-UHFFFAOYSA-N 1 2 279.746 4.101 10 0 CIAELO CNc1ccc(COc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000050833158 522611807 /nfs/dbraw/zinc/61/18/07/522611807.db2.gz DXURJOKZYQZCKJ-UHFFFAOYSA-N 1 2 283.158 4.009 10 0 CIAELO CNc1[nH+]cccc1CSc1nc2ccccc2s1 ZINC000052755870 522711594 /nfs/dbraw/zinc/71/15/94/522711594.db2.gz CZTCKFPOEKGONW-UHFFFAOYSA-N 1 2 287.413 4.025 10 0 CIAELO CCCC[C@H](CC)C[NH2+]c1ccc(OC)cc1OC ZINC000103998939 185879643 /nfs/dbraw/zinc/87/96/43/185879643.db2.gz RZAYGADWRQLMCA-ZDUSSCGKSA-N 1 2 265.397 4.332 10 0 CIAELO COC(=O)c1cccc(Nc2cc(C)c3ccccc3[nH+]2)c1 ZINC000005587768 170116827 /nfs/dbraw/zinc/11/68/27/170116827.db2.gz ITIPEPPLRIDZQC-UHFFFAOYSA-N 1 2 292.338 4.073 10 0 CIAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3s2)o1 ZINC000020136197 171024170 /nfs/dbraw/zinc/02/41/70/171024170.db2.gz XWOZGZXQHWJYBO-NSHDSACASA-N 1 2 272.373 4.049 10 0 CIAELO CCCCC[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000021807757 171328118 /nfs/dbraw/zinc/32/81/18/171328118.db2.gz YUZBJRNUABLLSR-GFCCVEGCSA-N 1 2 251.370 4.085 10 0 CIAELO Brc1ccc(-c2cn3c([nH+]2)CCCCC3)cc1 ZINC000028114624 171548406 /nfs/dbraw/zinc/54/84/06/171548406.db2.gz GPTVCPAIZPKPNH-UHFFFAOYSA-N 1 2 291.192 4.039 10 0 CIAELO Nc1ccc(Sc2cccs2)c2cc[nH+]cc12 ZINC000035333342 172131435 /nfs/dbraw/zinc/13/14/35/172131435.db2.gz PKVTXBIYIPMPEJ-UHFFFAOYSA-N 1 2 258.371 4.030 10 0 CIAELO CCC[C@H](C)[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781072 173710951 /nfs/dbraw/zinc/71/09/51/173710951.db2.gz DQJZAMMORDPXDX-LBPRGKRZSA-N 1 2 250.361 4.026 10 0 CIAELO Cc1cccc(C)c1OCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000040224037 174207497 /nfs/dbraw/zinc/20/74/97/174207497.db2.gz JBLYJEWKKODHPD-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO CCc1ccc(OCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000040224702 174208048 /nfs/dbraw/zinc/20/80/48/174208048.db2.gz QHRKCLFMDDTMNY-UHFFFAOYSA-N 1 2 294.398 4.376 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1c(C)cccc1C ZINC000040224637 174208287 /nfs/dbraw/zinc/20/82/87/174208287.db2.gz ZEHRMVBHLAQXFT-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO Cc1cc[nH+]cc1N[C@@H](C)c1ccc(Br)cc1 ZINC000071413238 176158593 /nfs/dbraw/zinc/15/85/93/176158593.db2.gz NJVZEINATSSRRC-NSHDSACASA-N 1 2 291.192 4.326 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1cc(F)ccc1F ZINC000175291934 261217065 /nfs/dbraw/zinc/21/70/65/261217065.db2.gz DTEHYANLDQSNHC-SNVBAGLBSA-N 1 2 282.359 4.176 10 0 CIAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)oc1C ZINC000064138143 328337543 /nfs/dbraw/zinc/33/75/43/328337543.db2.gz HTXWUACDRIDUSU-ZDUSSCGKSA-N 1 2 272.392 4.266 10 0 CIAELO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2ncc(C)s2)o1 ZINC000180509099 329220229 /nfs/dbraw/zinc/22/02/29/329220229.db2.gz ZSRFYJDGOFQHHP-CQSZACIVSA-N 1 2 290.432 4.334 10 0 CIAELO CCc1ccc([C@H]2CCCC[N@H+]2Cc2ncc(C)s2)o1 ZINC000180509099 329220230 /nfs/dbraw/zinc/22/02/30/329220230.db2.gz ZSRFYJDGOFQHHP-CQSZACIVSA-N 1 2 290.432 4.334 10 0 CIAELO CC(C)n1cc[nH+]c1CSc1cccc(Cl)c1 ZINC000171021153 330125810 /nfs/dbraw/zinc/12/58/10/330125810.db2.gz YISZURCIWRRVJT-UHFFFAOYSA-N 1 2 266.797 4.410 10 0 CIAELO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000172246053 335098807 /nfs/dbraw/zinc/09/88/07/335098807.db2.gz YVSDJQYEOJLFAL-MRXNPFEDSA-N 1 2 299.418 4.093 10 0 CIAELO CCc1ccc(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000172246053 335098809 /nfs/dbraw/zinc/09/88/09/335098809.db2.gz YVSDJQYEOJLFAL-MRXNPFEDSA-N 1 2 299.418 4.093 10 0 CIAELO CCc1cccc(C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000188979111 333176901 /nfs/dbraw/zinc/17/69/01/333176901.db2.gz WHRSAFBKKYLJSQ-MRXNPFEDSA-N 1 2 299.418 4.093 10 0 CIAELO CCc1cccc(C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000188979111 333176902 /nfs/dbraw/zinc/17/69/02/333176902.db2.gz WHRSAFBKKYLJSQ-MRXNPFEDSA-N 1 2 299.418 4.093 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000076995745 334092842 /nfs/dbraw/zinc/09/28/42/334092842.db2.gz FQOLWNCTKZOPCF-IRXDYDNUSA-N 1 2 294.398 4.256 10 0 CIAELO CCCCCC[C@@H](C)OCc1ccc[nH+]c1NCC ZINC000052755187 520120794 /nfs/dbraw/zinc/12/07/94/520120794.db2.gz FTHQNDSQSLSNIF-CQSZACIVSA-N 1 2 264.413 4.389 10 0 CIAELO CCNc1cc(C(F)F)[nH+]c2ccc(CC)cc12 ZINC000061629572 520265725 /nfs/dbraw/zinc/26/57/25/520265725.db2.gz QSJYXCCIOZQFJL-UHFFFAOYSA-N 1 2 250.292 4.167 10 0 CIAELO CCNc1[nH+]cccc1COc1ccc(Cl)cc1Cl ZINC000052754539 520377684 /nfs/dbraw/zinc/37/76/84/520377684.db2.gz WNJPLGLWLUMAQZ-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccccc1Cl ZINC000049506552 525039498 /nfs/dbraw/zinc/03/94/98/525039498.db2.gz HPTPBSFJCWUEEB-LLVKDONJSA-N 1 2 260.768 4.404 10 0 CIAELO Cc1[nH]c(CNc2cc(Cl)c(Cl)cc2Cl)c[nH+]1 ZINC000054797867 526896988 /nfs/dbraw/zinc/89/69/88/526896988.db2.gz VISMAWNSUJWLAI-UHFFFAOYSA-N 1 2 290.581 4.290 10 0 CIAELO Cc1[nH]cc(CNc2cc(Cl)c(Cl)cc2Cl)[nH+]1 ZINC000054797867 526896990 /nfs/dbraw/zinc/89/69/90/526896990.db2.gz VISMAWNSUJWLAI-UHFFFAOYSA-N 1 2 290.581 4.290 10 0 CIAELO Cc1cc2[nH+]c(Cc3ccccc3)[nH]c2cc1Cl ZINC000073638850 567893493 /nfs/dbraw/zinc/89/34/93/567893493.db2.gz WJOBBDBFGBPJBY-UHFFFAOYSA-N 1 2 256.736 4.116 10 0 CIAELO CCNc1nc(C2CCC(C)CC2)[nH+]c(C)c1CC ZINC000110104265 186285552 /nfs/dbraw/zinc/28/55/52/186285552.db2.gz UBIAEVJGXFSWEC-UHFFFAOYSA-N 1 2 261.413 4.073 10 0 CIAELO CCNc1cc(C2CC2)[nH+]c(-c2ccc(Cl)cc2)n1 ZINC000110461610 186297593 /nfs/dbraw/zinc/29/75/93/186297593.db2.gz VLAGLDVWASMSJL-UHFFFAOYSA-N 1 2 273.767 4.106 10 0 CIAELO CCCc1cc(NCC)nc(C2CCC(C)CC2)[nH+]1 ZINC000110448713 186297631 /nfs/dbraw/zinc/29/76/31/186297631.db2.gz UTRKCTZFZMTJJF-UHFFFAOYSA-N 1 2 261.413 4.155 10 0 CIAELO c1ccc2c(c1)[nH]c1c2CC[NH+]=C1c1cccc2cccnc21 ZINC000005704876 170131359 /nfs/dbraw/zinc/13/13/59/170131359.db2.gz BGJQSTOJEPGFPD-UHFFFAOYSA-N 1 2 297.361 4.110 10 0 CIAELO CC(C)[C@@H]1CO[C@@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000005881259 170149731 /nfs/dbraw/zinc/14/97/31/170149731.db2.gz ADVAHDVGFJERMQ-OALUTQOASA-N 1 2 281.399 4.242 10 0 CIAELO CC(C)[C@@H]1CO[C@@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000005881259 170149733 /nfs/dbraw/zinc/14/97/33/170149733.db2.gz ADVAHDVGFJERMQ-OALUTQOASA-N 1 2 281.399 4.242 10 0 CIAELO CCCCCC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020360233 171158950 /nfs/dbraw/zinc/15/89/50/171158950.db2.gz WNZNENMIQKDESS-UHFFFAOYSA-N 1 2 271.788 4.349 10 0 CIAELO CC[C@H](C)[C@H](C)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020558853 171250976 /nfs/dbraw/zinc/25/09/76/171250976.db2.gz UUOBGEUWKZKQFR-UWVGGRQHSA-N 1 2 271.788 4.204 10 0 CIAELO COc1cc(OC)c([NH2+][C@H]2CCC[C@H](C)C2)cc1Cl ZINC000021790247 171324018 /nfs/dbraw/zinc/32/40/18/171324018.db2.gz FGSSMLDXVQUOFA-QWRGUYRKSA-N 1 2 283.799 4.348 10 0 CIAELO CCCC(=O)Nc1cccc(-c2cn3cc(C)ccc3[nH+]2)c1 ZINC000035156307 172016826 /nfs/dbraw/zinc/01/68/26/172016826.db2.gz WVEHAKNAVGQSEH-UHFFFAOYSA-N 1 2 293.370 4.048 10 0 CIAELO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc(Cl)s1 ZINC000035185280 172038794 /nfs/dbraw/zinc/03/87/94/172038794.db2.gz OFQKYJWIGHKPHL-ZDUSSCGKSA-N 1 2 263.749 4.196 10 0 CIAELO Cc1ccc(Sc2ccc(N)c3c[nH+]ccc23)cc1 ZINC000035333285 172131653 /nfs/dbraw/zinc/13/16/53/172131653.db2.gz WXBMKQSRJSEVJQ-UHFFFAOYSA-N 1 2 266.369 4.277 10 0 CIAELO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)cs1 ZINC000036922034 172804955 /nfs/dbraw/zinc/80/49/55/172804955.db2.gz DERZEAOULPDRDY-IUCAKERBSA-N 1 2 282.359 4.142 10 0 CIAELO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)C1CCCCC1 ZINC000037274175 173086142 /nfs/dbraw/zinc/08/61/42/173086142.db2.gz ITXFHWPUSXBACE-CQSZACIVSA-N 1 2 260.425 4.442 10 0 CIAELO Cc1cc([NH+](C)C)ccc1N[C@H](C)C1CCCCC1 ZINC000037274175 173086143 /nfs/dbraw/zinc/08/61/43/173086143.db2.gz ITXFHWPUSXBACE-CQSZACIVSA-N 1 2 260.425 4.442 10 0 CIAELO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339465 173140281 /nfs/dbraw/zinc/14/02/81/173140281.db2.gz XCOLQCPVFCGRLW-QWHCGFSZSA-N 1 2 279.811 4.033 10 0 CIAELO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339465 173140282 /nfs/dbraw/zinc/14/02/82/173140282.db2.gz XCOLQCPVFCGRLW-QWHCGFSZSA-N 1 2 279.811 4.033 10 0 CIAELO CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781135 173711607 /nfs/dbraw/zinc/71/16/07/173711607.db2.gz BKXAMQPDQQIDDL-OLZOCXBDSA-N 1 2 264.388 4.272 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000040224684 174208059 /nfs/dbraw/zinc/20/80/59/174208059.db2.gz ZINOEGDQSTYSRU-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(CC)cc1 ZINC000040227370 174208897 /nfs/dbraw/zinc/20/88/97/174208897.db2.gz FSNCLGCMDGBCTQ-UHFFFAOYSA-N 1 2 294.398 4.240 10 0 CIAELO COCCCn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040389417 174251987 /nfs/dbraw/zinc/25/19/87/174251987.db2.gz XEWALIHIZFVWNO-UHFFFAOYSA-N 1 2 272.392 4.121 10 0 CIAELO CCc1[nH+]c2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417598 174256118 /nfs/dbraw/zinc/25/61/18/174256118.db2.gz QVBFPDDVWQIYDZ-UHFFFAOYSA-N 1 2 270.298 4.274 10 0 CIAELO CC(C)c1ccc(Nc2[nH+]cnc(NC(C)(C)C)c2N)cc1 ZINC000040680412 174374920 /nfs/dbraw/zinc/37/49/20/174374920.db2.gz BQWPWEWEYYVVOG-UHFFFAOYSA-N 1 2 299.422 4.136 10 0 CIAELO CC(C)n1cc[nH+]c1CSCCCOc1ccccc1 ZINC000175278394 329167364 /nfs/dbraw/zinc/16/73/64/329167364.db2.gz CTSGCSAQUHXNCD-UHFFFAOYSA-N 1 2 290.432 4.166 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000220882311 329204715 /nfs/dbraw/zinc/20/47/15/329204715.db2.gz YAZJFOKQFOSJRX-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000227555941 329327499 /nfs/dbraw/zinc/32/74/99/329327499.db2.gz IBWHJWNXHWUMKG-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO CCn1cc[nH+]c1CSCc1ccc(C(F)F)cc1 ZINC000185635619 329328352 /nfs/dbraw/zinc/32/83/52/329328352.db2.gz SLLZXOKBXPOXEC-UHFFFAOYSA-N 1 2 282.359 4.274 10 0 CIAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)o1 ZINC000230631232 329367836 /nfs/dbraw/zinc/36/78/36/329367836.db2.gz IESFKJJLRGTONC-IUCAKERBSA-N 1 2 270.785 4.110 10 0 CIAELO COc1ccc(C)cc1CSCc1[nH+]ccn1C(C)C ZINC000175275962 333019528 /nfs/dbraw/zinc/01/95/28/333019528.db2.gz GDLNJOZIBIABCZ-UHFFFAOYSA-N 1 2 290.432 4.214 10 0 CIAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)o2)o1 ZINC000193643334 333254636 /nfs/dbraw/zinc/25/46/36/333254636.db2.gz BRSFTEBAOYWFBL-CYBMUJFWSA-N 1 2 282.343 4.094 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000076995740 334092888 /nfs/dbraw/zinc/09/28/88/334092888.db2.gz FQOLWNCTKZOPCF-SJORKVTESA-N 1 2 294.398 4.256 10 0 CIAELO C[C@H]([NH2+]c1ccc(OC(F)F)cc1)C1CCCC1 ZINC000054077521 525658112 /nfs/dbraw/zinc/65/81/12/525658112.db2.gz YPEDKMQVTSPXHJ-JTQLQIEISA-N 1 2 255.308 4.279 10 0 CIAELO C[C@@H](Nc1cccc[nH+]1)c1cccc(Br)c1 ZINC000037998873 525721051 /nfs/dbraw/zinc/72/10/51/525721051.db2.gz VYBYCADCXDLDJV-SNVBAGLBSA-N 1 2 277.165 4.017 10 0 CIAELO Cc1[nH+]c2ccccc2n1Cc1nc(Cl)ccc1Cl ZINC000061638286 527171642 /nfs/dbraw/zinc/17/16/42/527171642.db2.gz WLVWAYDXSOLPCI-UHFFFAOYSA-N 1 2 292.169 4.095 10 0 CIAELO CC(C)n1c[nH+]cc1-c1cc(Cl)ccc1Cl ZINC000725246297 567908297 /nfs/dbraw/zinc/90/82/97/567908297.db2.gz UKRMAQMHDUXPIT-UHFFFAOYSA-N 1 2 255.148 4.438 10 0 CIAELO COc1cc2c[nH+]cc(Cc3ccc(Cl)cc3)c2cc1O ZINC000255965705 189997574 /nfs/dbraw/zinc/99/75/74/189997574.db2.gz BVFFBFPRLGIHPV-UHFFFAOYSA-N 1 2 299.757 4.193 10 0 CIAELO Nc1ccc[nH+]c1Nc1ccc(Oc2ccccc2)cc1 ZINC000020317668 171147513 /nfs/dbraw/zinc/14/75/13/171147513.db2.gz XVBHJMPLASGEGY-UHFFFAOYSA-N 1 2 277.327 4.200 10 0 CIAELO [NH3+][C@@H](c1cc2cc(Cl)cc(Cl)c2o1)c1ccccn1 ZINC000020593093 171262677 /nfs/dbraw/zinc/26/26/77/171262677.db2.gz OUOYUEWMZJTLGQ-CYBMUJFWSA-N 1 2 293.153 4.183 10 0 CIAELO C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(OC(F)F)cc1 ZINC000021011872 171287478 /nfs/dbraw/zinc/28/74/78/171287478.db2.gz PBBILEZTBDQJDX-GWCFXTLKSA-N 1 2 255.308 4.279 10 0 CIAELO FC(F)Oc1ccc([NH2+]C2CCCCCC2)cc1 ZINC000021031288 171292105 /nfs/dbraw/zinc/29/21/05/171292105.db2.gz FQUAKLPOSWASKZ-UHFFFAOYSA-N 1 2 255.308 4.423 10 0 CIAELO COc1cc(OC)c([NH2+][C@H]2CCCC[C@@H]2C)cc1Cl ZINC000021806861 171328032 /nfs/dbraw/zinc/32/80/32/171328032.db2.gz BHDVLWAVJWOKTO-JQWIXIFHSA-N 1 2 283.799 4.348 10 0 CIAELO CCCC(CCC)[NH2+]c1ccc(OC)cc1OC ZINC000021810592 171328830 /nfs/dbraw/zinc/32/88/30/171328830.db2.gz YPZTYCUPVFRQFO-UHFFFAOYSA-N 1 2 251.370 4.085 10 0 CIAELO CC(C)c1ccc(CSc2ccc(N)[nH+]c2)cc1 ZINC000037192512 173021987 /nfs/dbraw/zinc/02/19/87/173021987.db2.gz LHHWIQGXZGQIGJ-UHFFFAOYSA-N 1 2 258.390 4.080 10 0 CIAELO Nc1[nH+]c2c(cccc2F)n1-c1ccc(Cl)cc1Cl ZINC000037421401 173198487 /nfs/dbraw/zinc/19/84/87/173198487.db2.gz RJCBJPWSMGMBNW-UHFFFAOYSA-N 1 2 296.132 4.054 10 0 CIAELO Cc1cccc(OCCn2c[nH+]c3cc(C)c(C)cc32)c1C ZINC000040224031 174207263 /nfs/dbraw/zinc/20/72/63/174207263.db2.gz BCEAFBLZXMKQCQ-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1cccc(C)c1C ZINC000040224630 174208026 /nfs/dbraw/zinc/20/80/26/174208026.db2.gz RBJQWZDRIIUMQQ-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO Cc1cc([C@H]2CCCN2c2cc(C)c3ccccc3[nH+]2)no1 ZINC000044725021 175237173 /nfs/dbraw/zinc/23/71/73/175237173.db2.gz JEKCQJZZPJSYTD-QGZVFWFLSA-N 1 2 293.370 4.181 10 0 CIAELO Cc1[nH]c(-c2cccc(NCc3ccccc3)c2)[nH+]c1C ZINC000045189795 175326017 /nfs/dbraw/zinc/32/60/17/175326017.db2.gz LDRYEHCQZJVCHB-UHFFFAOYSA-N 1 2 277.371 4.306 10 0 CIAELO Cc1cc2[nH+]c(-c3ccc(C)c(C)c3)[nH]c2c(C)c1 ZINC000073638586 176480350 /nfs/dbraw/zinc/48/03/50/176480350.db2.gz ZGHWDGYIRNIEQI-UHFFFAOYSA-N 1 2 250.345 4.464 10 0 CIAELO Cc1ccc2[nH]c(Cc3ccc(Cl)cc3)[nH+]c2c1 ZINC000034398499 228043684 /nfs/dbraw/zinc/04/36/84/228043684.db2.gz AKSMHFKIAZNJAL-UHFFFAOYSA-N 1 2 256.736 4.116 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919912 260141324 /nfs/dbraw/zinc/14/13/24/260141324.db2.gz JGBVZAGKQPSRBI-NXEZZACHSA-N 1 2 282.746 4.187 10 0 CIAELO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000116293585 267137885 /nfs/dbraw/zinc/13/78/85/267137885.db2.gz UZBZPMFKWCTXFJ-CYBMUJFWSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1nc(C[N@H+]2CCC[C@@H]2c2ccco2)cs1 ZINC000116293585 267137889 /nfs/dbraw/zinc/13/78/89/267137889.db2.gz UZBZPMFKWCTXFJ-CYBMUJFWSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1nc(C[N@@H+]2CCC[C@H]2c2ccco2)cs1 ZINC000116293587 267138074 /nfs/dbraw/zinc/13/80/74/267138074.db2.gz UZBZPMFKWCTXFJ-ZDUSSCGKSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1nc(C[N@H+]2CCC[C@H]2c2ccco2)cs1 ZINC000116293587 267138075 /nfs/dbraw/zinc/13/80/75/267138075.db2.gz UZBZPMFKWCTXFJ-ZDUSSCGKSA-N 1 2 276.405 4.197 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000120383447 267436749 /nfs/dbraw/zinc/43/67/49/267436749.db2.gz QHUDGEGNPORANR-YVEFUNNKSA-N 1 2 295.386 4.150 10 0 CIAELO CC(C)n1cc[nH+]c1CN(C)c1cccc2ccccc21 ZINC000170958461 327679728 /nfs/dbraw/zinc/67/97/28/327679728.db2.gz CBOBQTPNJVFJRN-UHFFFAOYSA-N 1 2 279.387 4.254 10 0 CIAELO CC(C)Nc1cccc(F)c1NCc1[nH+]ccn1C(C)C ZINC000180638758 327806700 /nfs/dbraw/zinc/80/67/00/327806700.db2.gz HDPMFHYLRYBJJR-UHFFFAOYSA-N 1 2 290.386 4.036 10 0 CIAELO Cc1cc(NCCCCC(F)(F)F)nc(C(C)C)[nH+]1 ZINC000128953124 327154805 /nfs/dbraw/zinc/15/48/05/327154805.db2.gz WSSYENFJTKBVCL-UHFFFAOYSA-N 1 2 275.318 4.053 10 0 CIAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748673 329176550 /nfs/dbraw/zinc/17/65/50/329176550.db2.gz PJOUPFFEIQASCN-OLZOCXBDSA-N 1 2 297.358 4.050 10 0 CIAELO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000177684206 329189008 /nfs/dbraw/zinc/18/90/08/329189008.db2.gz WNBWSMSMTHXBHB-CHWSQXEVSA-N 1 2 288.391 4.463 10 0 CIAELO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000177684206 329189009 /nfs/dbraw/zinc/18/90/09/329189009.db2.gz WNBWSMSMTHXBHB-CHWSQXEVSA-N 1 2 288.391 4.463 10 0 CIAELO CCc1ccc(C[N@@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000172246059 335098702 /nfs/dbraw/zinc/09/87/02/335098702.db2.gz YVSDJQYEOJLFAL-INIZCTEOSA-N 1 2 299.418 4.093 10 0 CIAELO CCc1ccc(C[N@H+]2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000172246059 335098704 /nfs/dbraw/zinc/09/87/04/335098704.db2.gz YVSDJQYEOJLFAL-INIZCTEOSA-N 1 2 299.418 4.093 10 0 CIAELO CC[C@@H](SCc1[nH+]ccn1CC)c1ccccc1 ZINC000175295428 333020259 /nfs/dbraw/zinc/02/02/59/333020259.db2.gz UMDNAODYVYKELO-CQSZACIVSA-N 1 2 260.406 4.288 10 0 CIAELO CCNc1cc(CS[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000054696019 520272491 /nfs/dbraw/zinc/27/24/91/520272491.db2.gz BHJFTXCWLGAWQE-JSGCOSHPSA-N 1 2 264.438 4.325 10 0 CIAELO CNc1nc(-c2cc(Cl)cc(Cl)c2)[nH+]c(C)c1C ZINC000050865932 522673766 /nfs/dbraw/zinc/67/37/66/522673766.db2.gz VZAXUTJKDRGVBB-UHFFFAOYSA-N 1 2 282.174 4.109 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000049515507 525038560 /nfs/dbraw/zinc/03/85/60/525038560.db2.gz QYBYXUWKOXSCNJ-NSHDSACASA-N 1 2 260.768 4.404 10 0 CIAELO Cc1cc(N)c[nH+]c1Nc1cc(Cl)ccc1Cl ZINC000052812386 525040845 /nfs/dbraw/zinc/04/08/45/525040845.db2.gz SAIHGYBEEPKCSK-UHFFFAOYSA-N 1 2 268.147 4.023 10 0 CIAELO Cc1cc([C@@H](C)Nc2ccc([NH3+])cc2C)c(C)s1 ZINC000049506156 525477902 /nfs/dbraw/zinc/47/79/02/525477902.db2.gz ZNNXERJJYKJLRT-LLVKDONJSA-N 1 2 260.406 4.429 10 0 CIAELO C[C@H](Nc1ccc2[nH+]cccc2c1N)c1ccsc1 ZINC000061361353 525664168 /nfs/dbraw/zinc/66/41/68/525664168.db2.gz CUCRLBDJQBNRLT-JTQLQIEISA-N 1 2 269.373 4.052 10 0 CIAELO Cc1cnc(C(C)(C)[NH2+]Cc2ccc3ccccc3n2)s1 ZINC000080346345 525980944 /nfs/dbraw/zinc/98/09/44/525980944.db2.gz DCCWDDFLVHTZAK-UHFFFAOYSA-N 1 2 297.427 4.025 10 0 CIAELO Nc1c2cc(Cl)cc(Cl)c2[nH+]c2c1CCCC2 ZINC000050868978 527437714 /nfs/dbraw/zinc/43/77/14/527437714.db2.gz UBZYAQWKNPQKNN-UHFFFAOYSA-N 1 2 267.159 4.003 10 0 CIAELO CC1(C[NH2+]c2ccc(N)c(C(F)(F)F)c2)CCCC1 ZINC000104432281 186000611 /nfs/dbraw/zinc/00/06/11/186000611.db2.gz BTEGOWIKSJDZKN-UHFFFAOYSA-N 1 2 272.314 4.280 10 0 CIAELO Cc1[nH+]cnc(N[C@H](CC(C)(C)C)c2cccnc2)c1C ZINC000091504723 180175765 /nfs/dbraw/zinc/17/57/65/180175765.db2.gz QETWWNRBLYMRTR-OAHLLOKOSA-N 1 2 284.407 4.078 10 0 CIAELO CC[C@@H](C)[C@H](C)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020558851 171251205 /nfs/dbraw/zinc/25/12/05/171251205.db2.gz UUOBGEUWKZKQFR-ZJUUUORDSA-N 1 2 271.788 4.204 10 0 CIAELO [NH3+][C@H](c1cc2cc(Cl)cc(Cl)c2o1)c1ccccn1 ZINC000020593092 171262493 /nfs/dbraw/zinc/26/24/93/171262493.db2.gz OUOYUEWMZJTLGQ-ZDUSSCGKSA-N 1 2 293.153 4.183 10 0 CIAELO CCOc1ccc([NH2+]CCCc2ccccc2)cc1 ZINC000021795208 171324668 /nfs/dbraw/zinc/32/46/68/171324668.db2.gz LWNNDNZXIXRFEK-UHFFFAOYSA-N 1 2 255.361 4.130 10 0 CIAELO COc1cc(OC)c([NH2+][C@@H]2CCCC[C@@H]2C)cc1Cl ZINC000021806859 171327876 /nfs/dbraw/zinc/32/78/76/171327876.db2.gz BHDVLWAVJWOKTO-CMPLNLGQSA-N 1 2 283.799 4.348 10 0 CIAELO Nc1ccc(SCc2c(Cl)cccc2Cl)c[nH+]1 ZINC000037192505 173021752 /nfs/dbraw/zinc/02/17/52/173021752.db2.gz GHWVHVZPYDGAPL-UHFFFAOYSA-N 1 2 285.199 4.263 10 0 CIAELO Nc1ccc(SCc2ccc(Cl)cc2Cl)c[nH+]1 ZINC000037192656 173021894 /nfs/dbraw/zinc/02/18/94/173021894.db2.gz GOKOQPAXBARAGV-UHFFFAOYSA-N 1 2 285.199 4.263 10 0 CIAELO CC(C)(C)c1ccc(CSc2ccc(N)[nH+]c2)cc1 ZINC000037192449 173022316 /nfs/dbraw/zinc/02/23/16/173022316.db2.gz BGLUUTVVQCXGPD-UHFFFAOYSA-N 1 2 272.417 4.254 10 0 CIAELO C[C@H]1CCC[C@H]([NH2+]c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254853 173066045 /nfs/dbraw/zinc/06/60/45/173066045.db2.gz IOARMVVOVAVCNJ-UWVGGRQHSA-N 1 2 272.314 4.278 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1cccc(C)c1C ZINC000040224666 174208080 /nfs/dbraw/zinc/20/80/80/174208080.db2.gz YBYLSNNCLJMMIB-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1cc(C)ccc1C ZINC000040224672 174208208 /nfs/dbraw/zinc/20/82/08/174208208.db2.gz VTLZNMVZHHXPJH-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCCCOc1ccccc1 ZINC000040227431 174208432 /nfs/dbraw/zinc/20/84/32/174208432.db2.gz YRUAWUDGSLUCOB-UHFFFAOYSA-N 1 2 294.398 4.458 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(C)cc1C ZINC000040227344 174208581 /nfs/dbraw/zinc/20/85/81/174208581.db2.gz MTLOPEFEAHZXEM-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1c(C)cccc1C ZINC000040227345 174208731 /nfs/dbraw/zinc/20/87/31/174208731.db2.gz LPYUQHXDVHZHAW-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000040227338 174208953 /nfs/dbraw/zinc/20/89/53/174208953.db2.gz JONUUNADGZSIGZ-UHFFFAOYSA-N 1 2 264.372 4.232 10 0 CIAELO CCc1[nH+]c2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040231203 174209945 /nfs/dbraw/zinc/20/99/45/174209945.db2.gz FYTZDBXCNSHPJA-UHFFFAOYSA-N 1 2 298.773 4.135 10 0 CIAELO Cc1cc(Cl)cn2cc(-c3ccc(F)cc3)[nH+]c12 ZINC000040383798 174251526 /nfs/dbraw/zinc/25/15/26/174251526.db2.gz VYYKMOURFGAOIT-UHFFFAOYSA-N 1 2 260.699 4.102 10 0 CIAELO CCCc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000071570435 176197507 /nfs/dbraw/zinc/19/75/07/176197507.db2.gz GAXNRPJQWZJHEI-UHFFFAOYSA-N 1 2 250.345 4.262 10 0 CIAELO CC(C)n1cc[nH+]c1CSc1ccnc2ccccc21 ZINC000171787022 335080002 /nfs/dbraw/zinc/08/00/02/335080002.db2.gz NBKIXNSIOUNYBY-UHFFFAOYSA-N 1 2 283.400 4.305 10 0 CIAELO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCOc3ccccc32)c1 ZINC000090803340 260262388 /nfs/dbraw/zinc/26/23/88/260262388.db2.gz XLORPCMVQZBOOG-GFCCVEGCSA-N 1 2 294.276 4.036 10 0 CIAELO CCn1cc[nH+]c1CSCc1cc(F)ccc1Cl ZINC000187506634 263261172 /nfs/dbraw/zinc/26/11/72/263261172.db2.gz KCOQIJZEPGMSNM-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748701 329176524 /nfs/dbraw/zinc/17/65/24/329176524.db2.gz PJOUPFFEIQASCN-CHWSQXEVSA-N 1 2 297.358 4.050 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)o1 ZINC000230631226 329367938 /nfs/dbraw/zinc/36/79/38/329367938.db2.gz IESFKJJLRGTONC-DTWKUNHWSA-N 1 2 270.785 4.110 10 0 CIAELO Cc1cc[nH+]cc1N[C@H](C)c1cc2ccccc2o1 ZINC000071413485 333860207 /nfs/dbraw/zinc/86/02/07/333860207.db2.gz OSCHWKDVYLROQR-GFCCVEGCSA-N 1 2 252.317 4.309 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000076995744 334092790 /nfs/dbraw/zinc/09/27/90/334092790.db2.gz FQOLWNCTKZOPCF-DLBZAZTESA-N 1 2 294.398 4.256 10 0 CIAELO CCc1cnc([C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)s1 ZINC000134929361 334108856 /nfs/dbraw/zinc/10/88/56/334108856.db2.gz MUAFOQQVLLKECV-LLVKDONJSA-N 1 2 290.436 4.100 10 0 CIAELO CCOc1ccccc1CSCc1[nH+]ccn1C(C)C ZINC000175274823 335178984 /nfs/dbraw/zinc/17/89/84/335178984.db2.gz SGCPSZHTWDQCTK-UHFFFAOYSA-N 1 2 290.432 4.296 10 0 CIAELO CCNc1cc(CSc2ccc(C)cc2)cc[nH+]1 ZINC000052755951 520273483 /nfs/dbraw/zinc/27/34/83/520273483.db2.gz HWNQCFLRXQOKAN-UHFFFAOYSA-N 1 2 258.390 4.114 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000049515509 525038896 /nfs/dbraw/zinc/03/88/96/525038896.db2.gz QYBYXUWKOXSCNJ-LLVKDONJSA-N 1 2 260.768 4.404 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@@H](c1cccs1)C(C)C ZINC000049555095 525039878 /nfs/dbraw/zinc/03/98/78/525039878.db2.gz QGIZAGSJQHHUON-OAHLLOKOSA-N 1 2 260.406 4.448 10 0 CIAELO C[C@H](Nc1cccc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000050340875 525666620 /nfs/dbraw/zinc/66/66/20/525666620.db2.gz XRLBHHQFQJLWAN-LBPRGKRZSA-N 1 2 269.373 4.107 10 0 CIAELO C[C@H](c1ccc(Cl)s1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601122 526054054 /nfs/dbraw/zinc/05/40/54/526054054.db2.gz GMCQDDOWJILDTL-MXWKQRLJSA-N 1 2 283.824 4.049 10 0 CIAELO C[C@H](c1ccc(Cl)s1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601122 526054058 /nfs/dbraw/zinc/05/40/58/526054058.db2.gz GMCQDDOWJILDTL-MXWKQRLJSA-N 1 2 283.824 4.049 10 0 CIAELO Cc1ccc2c(Nc3ccc([NH+](C)C)cc3)cc(C)nc2n1 ZINC000054672169 526135495 /nfs/dbraw/zinc/13/54/95/526135495.db2.gz FXSWMXJQICBKFP-UHFFFAOYSA-N 1 2 292.386 4.056 10 0 CIAELO CC[NH2+]c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000226285025 535525100 /nfs/dbraw/zinc/52/51/00/535525100.db2.gz WJQWXMCKSCPKFR-LLVKDONJSA-N 1 2 252.789 4.151 10 0 CIAELO Cc1cc2[nH+]c(Cc3ccc(Cl)cc3)[nH]c2c(C)c1 ZINC000073638845 567893705 /nfs/dbraw/zinc/89/37/05/567893705.db2.gz YGIMSXJLUXWPJX-UHFFFAOYSA-N 1 2 270.763 4.424 10 0 CIAELO Clc1cccc(Cl)c1OCCCCn1cc[nH+]c1 ZINC000005694988 170129808 /nfs/dbraw/zinc/12/98/08/170129808.db2.gz JJCGXHFAUJIZHW-UHFFFAOYSA-N 1 2 285.174 4.049 10 0 CIAELO Nc1ccc(Sc2cc(Cl)ccc2Cl)c[nH+]1 ZINC000019869346 170899911 /nfs/dbraw/zinc/89/99/11/170899911.db2.gz UHXARTDUDHTCJM-UHFFFAOYSA-N 1 2 271.172 4.122 10 0 CIAELO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]c1ccc2c(c1)OCCO2 ZINC000020560653 171251912 /nfs/dbraw/zinc/25/19/12/171251912.db2.gz HMXQJNUACAYJEH-IMJJTQAJSA-N 1 2 289.419 4.331 10 0 CIAELO COc1ccc([NH2+]C2CCCCCCC2)c(OC)c1 ZINC000021795425 171324856 /nfs/dbraw/zinc/32/48/56/171324856.db2.gz QLAAMYAOAGHJEK-UHFFFAOYSA-N 1 2 263.381 4.229 10 0 CIAELO CCOc1ccc([NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021814431 171331685 /nfs/dbraw/zinc/33/16/85/171331685.db2.gz NAEUAQVINPDCMF-CQSZACIVSA-N 1 2 255.361 4.301 10 0 CIAELO CC(C)[C@@H](Nc1ccc(N(C)C)[nH+]c1)c1cccs1 ZINC000037283851 173091268 /nfs/dbraw/zinc/09/12/68/173091268.db2.gz IPRXAWKFXUGLKN-OAHLLOKOSA-N 1 2 275.421 4.018 10 0 CIAELO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339466 173140140 /nfs/dbraw/zinc/14/01/40/173140140.db2.gz XCOLQCPVFCGRLW-STQMWFEESA-N 1 2 279.811 4.033 10 0 CIAELO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2cccc(Cl)c2)C1 ZINC000037339466 173140143 /nfs/dbraw/zinc/14/01/43/173140143.db2.gz XCOLQCPVFCGRLW-STQMWFEESA-N 1 2 279.811 4.033 10 0 CIAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccccc3)c2c1 ZINC000040177082 174202103 /nfs/dbraw/zinc/20/21/03/174202103.db2.gz YWZIMVRJHCCIFN-UHFFFAOYSA-N 1 2 290.366 4.412 10 0 CIAELO Cc1ccc(OCCn2c[nH+]c3cc(C)c(C)cc32)cc1C ZINC000040224110 174208065 /nfs/dbraw/zinc/20/80/65/174208065.db2.gz WDDOEEYVVOZYMS-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417597 174256059 /nfs/dbraw/zinc/25/60/59/174256059.db2.gz HIQAXEZDDPQXJS-UHFFFAOYSA-N 1 2 256.271 4.020 10 0 CIAELO CCc1[nH+]c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417817 174256475 /nfs/dbraw/zinc/25/64/75/174256475.db2.gz WBRIWAYDEPPKBN-UHFFFAOYSA-N 1 2 270.763 4.300 10 0 CIAELO CCOc1ccc2[nH+]c(Nc3ccc(C)cc3)[nH]c2c1 ZINC000026474175 260131029 /nfs/dbraw/zinc/13/10/29/260131029.db2.gz TVNBBVJASKZYSY-UHFFFAOYSA-N 1 2 267.332 4.014 10 0 CIAELO CC(C)n1cc[nH+]c1CSCc1ccc(F)c(F)c1 ZINC000175275603 261218265 /nfs/dbraw/zinc/21/82/65/261218265.db2.gz KHJUYFZARXWVNU-UHFFFAOYSA-N 1 2 282.359 4.176 10 0 CIAELO CCn1cc[nH+]c1CS[C@@H](C)c1cccc(C)c1 ZINC000175301386 261220668 /nfs/dbraw/zinc/22/06/68/261220668.db2.gz ITUVWZXZLUKIPS-ZDUSSCGKSA-N 1 2 260.406 4.206 10 0 CIAELO CC(C)n1cc[nH+]c1CSCc1cc(F)cc(F)c1 ZINC000187506925 262138562 /nfs/dbraw/zinc/13/85/62/262138562.db2.gz FIJQVEYBNFANEC-UHFFFAOYSA-N 1 2 282.359 4.176 10 0 CIAELO Cc1nc([C@H](C)[NH2+]Cc2sccc2Cl)cs1 ZINC000336777413 328513022 /nfs/dbraw/zinc/51/30/22/328513022.db2.gz IJPWMDHHRRBBTI-ZETCQYMHSA-N 1 2 272.826 4.017 10 0 CIAELO CCn1cc[nH+]c1CS[C@H](C)c1ccc(F)cc1 ZINC000171753337 329080158 /nfs/dbraw/zinc/08/01/58/329080158.db2.gz VHLHSOIFBQXEED-LLVKDONJSA-N 1 2 264.369 4.037 10 0 CIAELO Cc1ccc(N[C@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000164695715 331287338 /nfs/dbraw/zinc/28/73/38/331287338.db2.gz PQFXMEPBXZJPEU-KRWDZBQOSA-N 1 2 277.371 4.361 10 0 CIAELO CSc1cccc(C)c1NCc1[nH+]ccn1C(C)C ZINC000185442577 333140853 /nfs/dbraw/zinc/14/08/53/333140853.db2.gz HQEJXGVWTAMEQV-UHFFFAOYSA-N 1 2 275.421 4.106 10 0 CIAELO CCS[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000230922468 333322643 /nfs/dbraw/zinc/32/26/43/333322643.db2.gz YFPWGQRICIHSLA-KGLIPLIRSA-N 1 2 272.417 4.321 10 0 CIAELO Cc1cc[nH+]cc1N[C@@H](C)c1cc2ccccc2o1 ZINC000071413484 333860232 /nfs/dbraw/zinc/86/02/32/333860232.db2.gz OSCHWKDVYLROQR-LBPRGKRZSA-N 1 2 252.317 4.309 10 0 CIAELO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000076995737 334092713 /nfs/dbraw/zinc/09/27/13/334092713.db2.gz FQOLWNCTKZOPCF-IAGOWNOFSA-N 1 2 294.398 4.256 10 0 CIAELO CC[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000079046715 334146535 /nfs/dbraw/zinc/14/65/35/334146535.db2.gz YTEVNVZKAOPRTN-CQSZACIVSA-N 1 2 265.360 4.137 10 0 CIAELO CC[C@H](Nc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000079046709 334146538 /nfs/dbraw/zinc/14/65/38/334146538.db2.gz YTEVNVZKAOPRTN-AWEZNQCLSA-N 1 2 265.360 4.137 10 0 CIAELO CC(C)c1cc(N)nc(Cc2ccc(Cl)cc2Cl)[nH+]1 ZINC000050846511 519833188 /nfs/dbraw/zinc/83/31/88/519833188.db2.gz TYSAZWPZYFAAIA-UHFFFAOYSA-N 1 2 296.201 4.080 10 0 CIAELO CCCNc1[nH+]cccc1CSc1ccccc1 ZINC000052755888 520196555 /nfs/dbraw/zinc/19/65/55/520196555.db2.gz SJRFPCQJBBIFEL-UHFFFAOYSA-N 1 2 258.390 4.196 10 0 CIAELO CCNc1ccc(CSc2ccc(Cl)cc2)c[nH+]1 ZINC000050833804 520304428 /nfs/dbraw/zinc/30/44/28/520304428.db2.gz WLOVKGPPAUYESD-UHFFFAOYSA-N 1 2 278.808 4.459 10 0 CIAELO C[C@@H](Nc1ccc2[nH+]cccc2c1N)c1ccsc1 ZINC000061361354 525714767 /nfs/dbraw/zinc/71/47/67/525714767.db2.gz CUCRLBDJQBNRLT-SNVBAGLBSA-N 1 2 269.373 4.052 10 0 CIAELO Cc1c(N)cccc1[NH+]1CCC2(CCCCC2)CC1 ZINC000062725500 525820005 /nfs/dbraw/zinc/82/00/05/525820005.db2.gz VXSCSHJWQVCENG-UHFFFAOYSA-N 1 2 258.409 4.128 10 0 CIAELO CC[NH2+]c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000226285038 567041431 /nfs/dbraw/zinc/04/14/31/567041431.db2.gz DKWFZVSXPZPRJP-UHFFFAOYSA-N 1 2 252.789 4.008 10 0 CIAELO CC(C)n1c[nH+]cc1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000725245897 567908357 /nfs/dbraw/zinc/90/83/57/567908357.db2.gz MRISKPWZVMJGQM-UHFFFAOYSA-N 1 2 286.375 4.086 10 0 CIAELO Cc1cc(Br)cn2c(-c3ccccc3)c[nH+]c12 ZINC000082693598 178187287 /nfs/dbraw/zinc/18/72/87/178187287.db2.gz QJFYTPPHGIZRGG-UHFFFAOYSA-N 1 2 287.160 4.072 10 0 CIAELO CCNc1cc(C)[nH+]c(-c2ccc(C(C)C)cc2)n1 ZINC000110104172 186286415 /nfs/dbraw/zinc/28/64/15/186286415.db2.gz SXXZHXNJBZUAII-UHFFFAOYSA-N 1 2 255.365 4.007 10 0 CIAELO Cc1cccn2cc(C34CC5CC(CC(C5)C3)C4)[nH+]c12 ZINC000004863927 170032631 /nfs/dbraw/zinc/03/26/31/170032631.db2.gz MFBZTIAOMQPDKK-UHFFFAOYSA-N 1 2 266.388 4.111 10 0 CIAELO COC(=O)c1ccc(Nc2cc(C)c3ccccc3[nH+]2)cc1 ZINC000005587753 170116675 /nfs/dbraw/zinc/11/66/75/170116675.db2.gz OPUYFJSASIGCMH-UHFFFAOYSA-N 1 2 292.338 4.073 10 0 CIAELO C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020383689 171174001 /nfs/dbraw/zinc/17/40/01/171174001.db2.gz ZXBNSUAQUSVAKO-NOZJJQNGSA-N 1 2 272.314 4.278 10 0 CIAELO C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020383681 171174497 /nfs/dbraw/zinc/17/44/97/171174497.db2.gz ZXBNSUAQUSVAKO-RNCFNFMXSA-N 1 2 272.314 4.278 10 0 CIAELO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]c1ccc2c(c1)OCCO2 ZINC000020560646 171252038 /nfs/dbraw/zinc/25/20/38/171252038.db2.gz HMXQJNUACAYJEH-KBMXLJTQSA-N 1 2 289.419 4.331 10 0 CIAELO CCC1CCC([NH2+]c2ccc(OC)cc2OC)CC1 ZINC000020565492 171254141 /nfs/dbraw/zinc/25/41/41/171254141.db2.gz GBDPTEAHQYNKLM-UHFFFAOYSA-N 1 2 263.381 4.085 10 0 CIAELO COc1ccc([NH2+]CC2CCCCC2)cc1Cl ZINC000021008849 171285484 /nfs/dbraw/zinc/28/54/84/171285484.db2.gz LWJWLMVJUGNLLH-UHFFFAOYSA-N 1 2 253.773 4.341 10 0 CIAELO CC[C@@H](C)C[C@@H](CC)[NH2+]c1ccc(OC)cc1OC ZINC000021811561 171329271 /nfs/dbraw/zinc/32/92/71/171329271.db2.gz ONLPUWNCZDTHPJ-CHWSQXEVSA-N 1 2 265.397 4.331 10 0 CIAELO C[NH2+][C@H](c1cc(F)ccc1F)c1c(F)cccc1Cl ZINC000035468835 172218934 /nfs/dbraw/zinc/21/89/34/172218934.db2.gz RSWVTLAEHWQXOZ-CQSZACIVSA-N 1 2 285.696 4.066 10 0 CIAELO C[C@@H]1CCC[C@H]([NH2+]c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254851 173066340 /nfs/dbraw/zinc/06/63/40/173066340.db2.gz IOARMVVOVAVCNJ-ZJUUUORDSA-N 1 2 272.314 4.278 10 0 CIAELO Nc1ccc([NH2+]CC2CCCCC2)cc1C(F)(F)F ZINC000037259710 173069875 /nfs/dbraw/zinc/06/98/75/173069875.db2.gz WDLSGMWZCZXNFY-UHFFFAOYSA-N 1 2 272.314 4.280 10 0 CIAELO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)C1CCCCC1 ZINC000037274173 173086505 /nfs/dbraw/zinc/08/65/05/173086505.db2.gz ITXFHWPUSXBACE-AWEZNQCLSA-N 1 2 260.425 4.442 10 0 CIAELO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C1CCCCC1 ZINC000037274173 173086507 /nfs/dbraw/zinc/08/65/07/173086507.db2.gz ITXFHWPUSXBACE-AWEZNQCLSA-N 1 2 260.425 4.442 10 0 CIAELO FC(F)(F)c1cc[nH+]c(N[C@H]2CCOc3ccccc32)c1 ZINC000090803342 260262378 /nfs/dbraw/zinc/26/23/78/260262378.db2.gz XLORPCMVQZBOOG-LBPRGKRZSA-N 1 2 294.276 4.036 10 0 CIAELO CCn1cc[nH+]c1CS[C@@H](C)c1cc(F)ccc1F ZINC000175291913 261217046 /nfs/dbraw/zinc/21/70/46/261217046.db2.gz DTEHYANLDQSNHC-JTQLQIEISA-N 1 2 282.359 4.176 10 0 CIAELO CCn1cc[nH+]c1CS[C@@H](C)c1ccc(F)cc1F ZINC000175292674 261217289 /nfs/dbraw/zinc/21/72/89/261217289.db2.gz QQSWMWKMALRRPV-JTQLQIEISA-N 1 2 282.359 4.176 10 0 CIAELO Cc1ccc([C@H]2CCCCN2c2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000172766147 329138390 /nfs/dbraw/zinc/13/83/90/329138390.db2.gz UKUCIDCFGKMVTP-OAHLLOKOSA-N 1 2 297.402 4.295 10 0 CIAELO Cc1ccc([C@@H]2CCCCN2c2cc[nH+]c(C(C)C)n2)o1 ZINC000172766090 329138555 /nfs/dbraw/zinc/13/85/55/329138555.db2.gz RNPYSTRMUVHPOR-AWEZNQCLSA-N 1 2 285.391 4.233 10 0 CIAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611508 329201485 /nfs/dbraw/zinc/20/14/85/329201485.db2.gz RYRVICAWRZLLBV-RDTXWAMCSA-N 1 2 278.355 4.115 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000227555935 329327260 /nfs/dbraw/zinc/32/72/60/329327260.db2.gz IBWHJWNXHWUMKG-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]2c2ccco2)n1 ZINC000121166639 330396949 /nfs/dbraw/zinc/39/69/49/330396949.db2.gz KPQBLKQQOYTMLK-LBPRGKRZSA-N 1 2 290.432 4.371 10 0 CIAELO CC(C)(C)c1csc(C[N@H+]2CCC[C@H]2c2ccco2)n1 ZINC000121166639 330396950 /nfs/dbraw/zinc/39/69/50/330396950.db2.gz KPQBLKQQOYTMLK-LBPRGKRZSA-N 1 2 290.432 4.371 10 0 CIAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)o2)o1 ZINC000193643354 333254527 /nfs/dbraw/zinc/25/45/27/333254527.db2.gz BRSFTEBAOYWFBL-ZDUSSCGKSA-N 1 2 282.343 4.094 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2c(Cl)oc3ccccc32)o1 ZINC000227556070 333285456 /nfs/dbraw/zinc/28/54/56/333285456.db2.gz DSOLFLHNXPBQBJ-JTQLQIEISA-N 1 2 290.750 4.233 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2c(Cl)oc3ccccc32)o1 ZINC000227556063 333285495 /nfs/dbraw/zinc/28/54/95/333285495.db2.gz DSOLFLHNXPBQBJ-SNVBAGLBSA-N 1 2 290.750 4.233 10 0 CIAELO Cc1ccccc1[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000079045954 334146309 /nfs/dbraw/zinc/14/63/09/334146309.db2.gz CHTUBSLANMDSNV-CYBMUJFWSA-N 1 2 265.360 4.055 10 0 CIAELO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccncc1 ZINC000183032237 335857380 /nfs/dbraw/zinc/85/73/80/335857380.db2.gz FBACPATWUBSGDA-LBPRGKRZSA-N 1 2 298.777 4.094 10 0 CIAELO CCNc1cc(CS[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000054696017 520272288 /nfs/dbraw/zinc/27/22/88/520272288.db2.gz BHJFTXCWLGAWQE-GXTWGEPZSA-N 1 2 264.438 4.325 10 0 CIAELO CCNc1[nH+]cccc1COc1ccc(Cl)c(C)c1 ZINC000052734012 520378334 /nfs/dbraw/zinc/37/83/34/520378334.db2.gz RTXYJMVAHQAWPW-UHFFFAOYSA-N 1 2 276.767 4.054 10 0 CIAELO CNc1c2c(F)cc(F)c(F)c2[nH+]c(C)c1C(C)C ZINC000061687794 522546704 /nfs/dbraw/zinc/54/67/04/522546704.db2.gz LYQOSJJGBUWPTF-UHFFFAOYSA-N 1 2 268.282 4.126 10 0 CIAELO CNc1ccc(CSc2ccc(C)cc2C)c[nH+]1 ZINC000050834062 522613482 /nfs/dbraw/zinc/61/34/82/522613482.db2.gz XUYLNAFJSMUOTL-UHFFFAOYSA-N 1 2 258.390 4.032 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@H](C)c1cccc(Cl)c1 ZINC000049515117 525038977 /nfs/dbraw/zinc/03/89/77/525038977.db2.gz PTHSVIYZSRKVAY-LLVKDONJSA-N 1 2 260.768 4.404 10 0 CIAELO CC[NH2+]c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000226285018 566984320 /nfs/dbraw/zinc/98/43/20/566984320.db2.gz WJQWXMCKSCPKFR-NSHDSACASA-N 1 2 252.789 4.151 10 0 CIAELO Cc1ccc(C)c(-c2[nH]c3c(cc(C)cc3C)[nH+]2)c1 ZINC000073638584 567893712 /nfs/dbraw/zinc/89/37/12/567893712.db2.gz PHEAAWNCSMSKBJ-UHFFFAOYSA-N 1 2 250.345 4.464 10 0 CIAELO CCCNc1cc(C)[nH+]c(-c2ccc(Cl)c(F)c2)n1 ZINC000110106777 186285360 /nfs/dbraw/zinc/28/53/60/186285360.db2.gz NNFIQVAIBREHEF-UHFFFAOYSA-N 1 2 279.746 4.066 10 0 CIAELO CCNc1c(CC)c(C)[nH+]c2c(OC)ccc(Cl)c12 ZINC000110112169 186286283 /nfs/dbraw/zinc/28/62/83/186286283.db2.gz HKDMENVLUMQYPZ-UHFFFAOYSA-N 1 2 278.783 4.199 10 0 CIAELO Cc1ccn2cc(C34CC5CC(CC(C5)C3)C4)[nH+]c2c1 ZINC000004864311 170032925 /nfs/dbraw/zinc/03/29/25/170032925.db2.gz QGDBFZRLIMUGCI-UHFFFAOYSA-N 1 2 266.388 4.111 10 0 CIAELO c1ccc(-c2ccc(CNc3cccc[nH+]3)cc2)cc1 ZINC000006582619 170215904 /nfs/dbraw/zinc/21/59/04/170215904.db2.gz ZJASERVWIGKVLD-UHFFFAOYSA-N 1 2 260.340 4.361 10 0 CIAELO Cc1ccc(C(C)(C)C)c(Oc2cc[nH+]cc2N)c1 ZINC000020523673 171236098 /nfs/dbraw/zinc/23/60/98/171236098.db2.gz ZKTBHTTVUQJDRG-UHFFFAOYSA-N 1 2 256.349 4.062 10 0 CIAELO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]c1ccc2c(c1)OCCO2 ZINC000020560648 171251994 /nfs/dbraw/zinc/25/19/94/171251994.db2.gz HMXQJNUACAYJEH-BPUTZDHNSA-N 1 2 289.419 4.331 10 0 CIAELO CCCCC[C@@H](C)Nc1ccc(N(CC)CC)[nH+]c1 ZINC000037003089 172862605 /nfs/dbraw/zinc/86/26/05/172862605.db2.gz JVSNHERKGNJLFF-CQSZACIVSA-N 1 2 263.429 4.309 10 0 CIAELO C[C@H]1CCC[C@@H]([NH2+]c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000037254857 173066183 /nfs/dbraw/zinc/06/61/83/173066183.db2.gz IOARMVVOVAVCNJ-VHSXEESVSA-N 1 2 272.314 4.278 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000040224691 174207815 /nfs/dbraw/zinc/20/78/15/174207815.db2.gz MDIYNLLKAWASSL-UHFFFAOYSA-N 1 2 294.398 4.431 10 0 CIAELO Cc1cc(C)cc(OCCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000040224049 174208250 /nfs/dbraw/zinc/20/82/50/174208250.db2.gz PRYAWNXZZQNAMS-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1cccc(C)c1C ZINC000040227342 174208415 /nfs/dbraw/zinc/20/84/15/174208415.db2.gz HJMXEGFDURTUSP-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO COc1ccc(Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040231227 174209731 /nfs/dbraw/zinc/20/97/31/174209731.db2.gz SDBNAXZYXRXAQU-UHFFFAOYSA-N 1 2 280.371 4.217 10 0 CIAELO Cc1ccc(-c2cn3cc(Cl)cc(C)c3[nH+]2)cc1 ZINC000040383792 174251693 /nfs/dbraw/zinc/25/16/93/174251693.db2.gz ZOAMBAVTBLORAB-UHFFFAOYSA-N 1 2 256.736 4.272 10 0 CIAELO CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCC ZINC000040417445 174255893 /nfs/dbraw/zinc/25/58/93/174255893.db2.gz QGCPZPQLYNTSLB-UHFFFAOYSA-N 1 2 270.298 4.418 10 0 CIAELO CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CC ZINC000040417123 174255912 /nfs/dbraw/zinc/25/59/12/174255912.db2.gz OEYHNTDYWCPNRB-UHFFFAOYSA-N 1 2 256.271 4.028 10 0 CIAELO Cc1cc[nH+]cc1N[C@H]1CCSc2ccccc21 ZINC000071413270 176158657 /nfs/dbraw/zinc/15/86/57/176158657.db2.gz IVDRGTQQOFMKMO-ZDUSSCGKSA-N 1 2 256.374 4.039 10 0 CIAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cccs1 ZINC000090802921 264412003 /nfs/dbraw/zinc/41/20/03/264412003.db2.gz MZOVSWMUJHRBSB-MRVPVSSYSA-N 1 2 272.295 4.335 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(Cl)c2Cl)o1 ZINC000220925916 329204142 /nfs/dbraw/zinc/20/41/42/329204142.db2.gz PXELESZBAPMAMR-SECBINFHSA-N 1 2 285.174 4.141 10 0 CIAELO Cc1cc(N[C@@H](c2cccs2)C(C)(C)C)nc[nH+]1 ZINC000301578080 326984224 /nfs/dbraw/zinc/98/42/24/326984224.db2.gz REQRUUZQFRSKCW-ZDUSSCGKSA-N 1 2 261.394 4.046 10 0 CIAELO Cc1ccc([C@H]2CCCCN2c2cc[nH+]c(C(C)C)n2)o1 ZINC000172766095 329138442 /nfs/dbraw/zinc/13/84/42/329138442.db2.gz RNPYSTRMUVHPOR-CQSZACIVSA-N 1 2 285.391 4.233 10 0 CIAELO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000183065965 329247083 /nfs/dbraw/zinc/24/70/83/329247083.db2.gz QJUQBRIBGOOEFL-LBPRGKRZSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1cnc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000183065965 329247085 /nfs/dbraw/zinc/24/70/85/329247085.db2.gz QJUQBRIBGOOEFL-LBPRGKRZSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000183065943 329247118 /nfs/dbraw/zinc/24/71/18/329247118.db2.gz QJUQBRIBGOOEFL-GFCCVEGCSA-N 1 2 276.405 4.197 10 0 CIAELO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000183065943 329247119 /nfs/dbraw/zinc/24/71/19/329247119.db2.gz QJUQBRIBGOOEFL-GFCCVEGCSA-N 1 2 276.405 4.197 10 0 CIAELO Cc1cc([C@H](C)[NH2+][C@H](C)c2csc(C)n2)c(C)o1 ZINC000044729764 329593663 /nfs/dbraw/zinc/59/36/63/329593663.db2.gz SKUYHKZEMUECDE-VHSXEESVSA-N 1 2 264.394 4.073 10 0 CIAELO CCn1cc[nH+]c1CNc1ccccc1Oc1ccccc1 ZINC000194872690 331069378 /nfs/dbraw/zinc/06/93/78/331069378.db2.gz GALFJTSASPLEBF-UHFFFAOYSA-N 1 2 293.370 4.307 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2csc3ccccc23)o1 ZINC000220908853 333170536 /nfs/dbraw/zinc/17/05/36/333170536.db2.gz POKLVFNYTZRPMR-NSHDSACASA-N 1 2 272.373 4.049 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C)cc2)o1 ZINC000220925625 333170976 /nfs/dbraw/zinc/17/09/76/333170976.db2.gz XZEWLZAINRPBGG-CYBMUJFWSA-N 1 2 272.392 4.131 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C)s2)o1 ZINC000227556465 333285736 /nfs/dbraw/zinc/28/57/36/333285736.db2.gz CBSIKXWYEFAIKR-NSHDSACASA-N 1 2 278.421 4.193 10 0 CIAELO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc(Cl)s1 ZINC000079045629 334146340 /nfs/dbraw/zinc/14/63/40/334146340.db2.gz QODFZXSSYXHVRC-VIFPVBQESA-N 1 2 291.807 4.461 10 0 CIAELO CCNc1cc(C)[nH+]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000050864601 520270005 /nfs/dbraw/zinc/27/00/05/520270005.db2.gz QFVCIHBKSBETPK-UHFFFAOYSA-N 1 2 282.174 4.191 10 0 CIAELO CCNc1ccc(CSC2CCCCC2)c[nH+]1 ZINC000050839004 520303700 /nfs/dbraw/zinc/30/37/00/520303700.db2.gz KEYKTZQXJWQRQG-UHFFFAOYSA-N 1 2 250.411 4.079 10 0 CIAELO CCNc1cc(C(F)F)[nH+]c2c(C)cc(C)cc12 ZINC000061629560 520265502 /nfs/dbraw/zinc/26/55/02/520265502.db2.gz CAGQGKUMIYTMCX-UHFFFAOYSA-N 1 2 250.292 4.221 10 0 CIAELO CCNc1ccc(CSc2ccccc2C)c[nH+]1 ZINC000050838844 520304706 /nfs/dbraw/zinc/30/47/06/520304706.db2.gz QVONKEXOSHPFPE-UHFFFAOYSA-N 1 2 258.390 4.114 10 0 CIAELO CCNc1[nH+]cccc1CSCc1ccccc1C ZINC000054964872 520377535 /nfs/dbraw/zinc/37/75/35/520377535.db2.gz YZYGHPPKRITYKL-UHFFFAOYSA-N 1 2 272.417 4.255 10 0 CIAELO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000088398898 521305246 /nfs/dbraw/zinc/30/52/46/521305246.db2.gz WYLXEZQMJWFSKO-LLVKDONJSA-N 1 2 295.814 4.158 10 0 CIAELO Fc1cc2[nH]c(Cc3cccc(Cl)c3)[nH+]c2cc1F ZINC000055306051 526312397 /nfs/dbraw/zinc/31/23/97/526312397.db2.gz TWBBOBZRYCTGEQ-UHFFFAOYSA-N 1 2 278.689 4.085 10 0 CIAELO CC[NH2+]c1ccc(N2CCCC[C@@H]2C)c(Br)c1 ZINC000226285074 567041102 /nfs/dbraw/zinc/04/11/02/567041102.db2.gz FDJKYXGXSDWFIW-NSHDSACASA-N 1 2 297.240 4.260 10 0 CIAELO c1[nH]c2ncccc2c1-c1cc[nH+]c(NC2CCCCC2)c1 ZINC000095582909 185012348 /nfs/dbraw/zinc/01/23/48/185012348.db2.gz WKRDKCCCKLPHDU-UHFFFAOYSA-N 1 2 292.386 4.370 10 0 CIAELO Cc1[nH+]cnc(N[C@@H](CC(C)(C)C)c2cccnc2)c1C ZINC000091504721 180176071 /nfs/dbraw/zinc/17/60/71/180176071.db2.gz QETWWNRBLYMRTR-HNNXBMFYSA-N 1 2 284.407 4.078 10 0 CIAELO CCCc1[nH+]c2ccccc2n1CCCOc1ccccc1 ZINC000002689425 169820208 /nfs/dbraw/zinc/82/02/08/169820208.db2.gz MCHXYQGHCPDTSB-UHFFFAOYSA-N 1 2 294.398 4.458 10 0 CIAELO Cc1cc(Nc2ccc(N(C)C)cc2)[nH+]c2ccccc12 ZINC000005587759 170116791 /nfs/dbraw/zinc/11/67/91/170116791.db2.gz ZTWFAZDPVSKFFF-UHFFFAOYSA-N 1 2 277.371 4.353 10 0 CIAELO CC(C)[C@@H]1CO[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000005881258 170149929 /nfs/dbraw/zinc/14/99/29/170149929.db2.gz ADVAHDVGFJERMQ-RBUKOAKNSA-N 1 2 281.399 4.242 10 0 CIAELO CC(C)[C@@H]1CO[C@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000005881258 170149930 /nfs/dbraw/zinc/14/99/30/170149930.db2.gz ADVAHDVGFJERMQ-RBUKOAKNSA-N 1 2 281.399 4.242 10 0 CIAELO CC[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129458 171017829 /nfs/dbraw/zinc/01/78/29/171017829.db2.gz XPAPJJOCQJQYTA-CVEARBPZSA-N 1 2 288.460 4.092 10 0 CIAELO CC(C)Oc1ccc([NH2+]CCc2ccccc2)cc1 ZINC000020472953 171216578 /nfs/dbraw/zinc/21/65/78/171216578.db2.gz ATGCEBQMZKEXJF-UHFFFAOYSA-N 1 2 255.361 4.128 10 0 CIAELO CC[C@H](C)[C@@H](C)[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000020558849 171251072 /nfs/dbraw/zinc/25/10/72/171251072.db2.gz UUOBGEUWKZKQFR-VHSXEESVSA-N 1 2 271.788 4.204 10 0 CIAELO CC[C@H](C)C[C@H](CC)[NH2+]c1ccc(OC)cc1OC ZINC000021811567 171329238 /nfs/dbraw/zinc/32/92/38/171329238.db2.gz ONLPUWNCZDTHPJ-STQMWFEESA-N 1 2 265.397 4.331 10 0 CIAELO O=Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O ZINC000035636713 172320955 /nfs/dbraw/zinc/32/09/55/172320955.db2.gz AZKNHPGTHFOACE-UHFFFAOYSA-N 1 2 298.729 4.150 10 0 in-vitro CIAELO CCC[C@H](C)C[NH2+]c1ccc(OCC(F)(F)F)cc1 ZINC000036972499 172839634 /nfs/dbraw/zinc/83/96/34/172839634.db2.gz FJZVOVKGKGNFGN-NSHDSACASA-N 1 2 275.314 4.476 10 0 CIAELO Clc1ccc([C@@H]([NH2+]Cc2ccco2)c2ccco2)s1 ZINC000037184271 173016896 /nfs/dbraw/zinc/01/68/96/173016896.db2.gz VIPUGFRYIGMYKG-AWEZNQCLSA-N 1 2 293.775 4.467 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040224648 174207888 /nfs/dbraw/zinc/20/78/88/174207888.db2.gz NTLHMUZMXKZWLI-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1ccc(C)cc1C ZINC000040224633 174208091 /nfs/dbraw/zinc/20/80/91/174208091.db2.gz QEUMBOMJROTMRE-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO CCOCCCn1c2cc(Cl)ccc2[nH+]c1C(C)C ZINC000040403218 174253615 /nfs/dbraw/zinc/25/36/15/174253615.db2.gz QWLIHBIXAMSSQC-UHFFFAOYSA-N 1 2 280.799 4.240 10 0 CIAELO FC(F)(F)CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000128944456 260379438 /nfs/dbraw/zinc/37/94/38/260379438.db2.gz PMTJLJAXMXMFGF-UHFFFAOYSA-N 1 2 286.219 4.245 10 0 CIAELO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C(C)C)n2)s1 ZINC000048738891 260656725 /nfs/dbraw/zinc/65/67/25/260656725.db2.gz LIJPROCJQRQTJX-GFCCVEGCSA-N 1 2 275.421 4.451 10 0 CIAELO CC(C)n1cc[nH+]c1CSC/C=C/c1ccccc1 ZINC000175274224 327664724 /nfs/dbraw/zinc/66/47/24/327664724.db2.gz IDSHBTCUQOEWRK-RMKNXTFCSA-N 1 2 272.417 4.411 10 0 CIAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748685 329176499 /nfs/dbraw/zinc/17/64/99/329176499.db2.gz PJOUPFFEIQASCN-STQMWFEESA-N 1 2 297.358 4.050 10 0 CIAELO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919849 333170824 /nfs/dbraw/zinc/17/08/24/333170824.db2.gz JGBVZAGKQPSRBI-UWVGGRQHSA-N 1 2 282.746 4.187 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C)cc2)o1 ZINC000220925684 333170844 /nfs/dbraw/zinc/17/08/44/333170844.db2.gz XZEWLZAINRPBGG-ZDUSSCGKSA-N 1 2 272.392 4.131 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919785 333170850 /nfs/dbraw/zinc/17/08/50/333170850.db2.gz JGBVZAGKQPSRBI-VHSXEESVSA-N 1 2 282.746 4.187 10 0 CIAELO CCNc1ccc(COc2cc(Cl)ccc2Cl)c[nH+]1 ZINC000050830655 520303612 /nfs/dbraw/zinc/30/36/12/520303612.db2.gz DGWDAEBIERGRJF-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CC(C)n1cc[nH+]c1CNc1ccccc1C(F)(F)F ZINC000123812085 520034708 /nfs/dbraw/zinc/03/47/08/520034708.db2.gz RGDIQYXDHSRTIT-UHFFFAOYSA-N 1 2 283.297 4.095 10 0 CIAELO CCNc1cc(C(F)F)[nH+]c2cc(C)cc(C)c12 ZINC000061629667 520265438 /nfs/dbraw/zinc/26/54/38/520265438.db2.gz WSVZLDTVKLYVHW-UHFFFAOYSA-N 1 2 250.292 4.221 10 0 CIAELO CCNc1[nH+]cccc1CSc1ccc(F)cc1F ZINC000052756272 520377854 /nfs/dbraw/zinc/37/78/54/520377854.db2.gz NIOKZZMQZLCTTN-UHFFFAOYSA-N 1 2 280.343 4.084 10 0 CIAELO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127672726 523925349 /nfs/dbraw/zinc/92/53/49/523925349.db2.gz QSXMHNADFIBLAS-AWEZNQCLSA-N 1 2 276.405 4.026 10 0 CIAELO CCc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127672726 523925352 /nfs/dbraw/zinc/92/53/52/523925352.db2.gz QSXMHNADFIBLAS-AWEZNQCLSA-N 1 2 276.405 4.026 10 0 CIAELO Cc1cc([NH3+])ccc1N[C@H](c1cccs1)C(C)C ZINC000049555096 525039829 /nfs/dbraw/zinc/03/98/29/525039829.db2.gz QGIZAGSJQHHUON-HNNXBMFYSA-N 1 2 260.406 4.448 10 0 CIAELO Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc[nH+]cc2C)o1 ZINC000120508010 525993697 /nfs/dbraw/zinc/99/36/97/525993697.db2.gz NESADEQBFJWJBD-OAHLLOKOSA-N 1 2 299.374 4.051 10 0 CIAELO CCNc1cc(C)[nH+]c2c(Cl)cc(Br)cc12 ZINC000082441540 178021291 /nfs/dbraw/zinc/02/12/91/178021291.db2.gz AVJHXLCQFIXJQG-UHFFFAOYSA-N 1 2 299.599 4.391 10 0 CIAELO CCNc1nc(-c2ccc(Cl)cc2)[nH+]c(C)c1CC ZINC000110104297 186286116 /nfs/dbraw/zinc/28/61/16/186286116.db2.gz AJXPRKGIFVUSLS-UHFFFAOYSA-N 1 2 275.783 4.100 10 0 CIAELO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998362 170394529 /nfs/dbraw/zinc/39/45/29/170394529.db2.gz PGPKWNITEFXMDR-JTQLQIEISA-N 1 2 286.202 4.051 10 0 CIAELO C[C@H]1CCCC[N@H+]1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998362 170394530 /nfs/dbraw/zinc/39/45/30/170394530.db2.gz PGPKWNITEFXMDR-JTQLQIEISA-N 1 2 286.202 4.051 10 0 CIAELO Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)c[nH+]1 ZINC000019952305 170940108 /nfs/dbraw/zinc/94/01/08/170940108.db2.gz VWBJZIZCHUJKBB-UHFFFAOYSA-N 1 2 287.672 4.080 10 0 CIAELO CC[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cccs1 ZINC000020129461 171017885 /nfs/dbraw/zinc/01/78/85/171017885.db2.gz XPAPJJOCQJQYTA-JKSUJKDBSA-N 1 2 288.460 4.092 10 0 CIAELO Nc1ccc[nH+]c1Nc1ccc(Cl)cc1C(F)(F)F ZINC000020317581 171147970 /nfs/dbraw/zinc/14/79/70/171147970.db2.gz OZYHCQHJOOBAQF-UHFFFAOYSA-N 1 2 287.672 4.080 10 0 CIAELO Cc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)o1 ZINC000020592847 171262423 /nfs/dbraw/zinc/26/24/23/171262423.db2.gz UKUOQDQZOGMCMY-AWEZNQCLSA-N 1 2 261.708 4.036 10 0 CIAELO C[C@H]1CCCC[C@H]1[NH2+]c1ccc(OC(F)F)cc1 ZINC000021011874 171287696 /nfs/dbraw/zinc/28/76/96/171287696.db2.gz PBBILEZTBDQJDX-GXFFZTMASA-N 1 2 255.308 4.279 10 0 CIAELO COc1cc(OC)c([NH2+]CC2CCCCC2)cc1Cl ZINC000021514756 171311953 /nfs/dbraw/zinc/31/19/53/171311953.db2.gz INCHIWRNHIYCCD-UHFFFAOYSA-N 1 2 283.799 4.349 10 0 CIAELO C[C@H](Nc1cccc[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000021806603 171327800 /nfs/dbraw/zinc/32/78/00/171327800.db2.gz HPYAIJZMTZIOPN-ORVZXPRGSA-N 1 2 256.393 4.098 10 0 CIAELO CCCc1[nH]c2c(cc(-c3nc4ccccc4[nH]3)cc2C)[nH+]1 ZINC000021986109 171345300 /nfs/dbraw/zinc/34/53/00/171345300.db2.gz SJDKRRCPDBARHK-UHFFFAOYSA-N 1 2 290.370 4.367 10 0 in-vitro CIAELO CCCc1[nH]c2cc(-c3nc4ccccc4[nH]3)cc(C)c2[nH+]1 ZINC000021986109 171345301 /nfs/dbraw/zinc/34/53/01/171345301.db2.gz SJDKRRCPDBARHK-UHFFFAOYSA-N 1 2 290.370 4.367 10 0 in-vitro CIAELO Cc1[nH+]c2ccccc2n1CCCC(=O)c1cccs1 ZINC000035230324 172071040 /nfs/dbraw/zinc/07/10/40/172071040.db2.gz FADQHVUICPIRTQ-UHFFFAOYSA-N 1 2 284.384 4.069 10 0 CIAELO Nc1ccc(Oc2cccc(Cl)c2)c2cc[nH+]cc12 ZINC000035333060 172131759 /nfs/dbraw/zinc/13/17/59/172131759.db2.gz QXENLAQTQQWPBA-UHFFFAOYSA-N 1 2 270.719 4.263 10 0 CIAELO CCC[NH2+][C@@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035573041 172269031 /nfs/dbraw/zinc/26/90/31/172269031.db2.gz KERSMVQBTYJDDL-VIFPVBQESA-N 1 2 287.297 4.295 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000040224704 174207783 /nfs/dbraw/zinc/20/77/83/174207783.db2.gz SANGWDDCEKVTIF-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCOc1cc(C)ccc1C ZINC000040224635 174208001 /nfs/dbraw/zinc/20/80/01/174208001.db2.gz TZSRFANYVFXOMU-UHFFFAOYSA-N 1 2 280.371 4.041 10 0 CIAELO Cc1[nH+]c2ccccc2n1CCCCOc1ccccc1 ZINC000040224706 174208069 /nfs/dbraw/zinc/20/80/69/174208069.db2.gz KQRUCDHFMLJBNV-UHFFFAOYSA-N 1 2 280.371 4.204 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000040227429 174208621 /nfs/dbraw/zinc/20/86/21/174208621.db2.gz KQVJAFAOYXOSTK-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO CCc1[nH+]c2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040227361 174208807 /nfs/dbraw/zinc/20/88/07/174208807.db2.gz KLGUUDKSLFPLDK-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO CCOCCn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040231535 174210010 /nfs/dbraw/zinc/21/00/10/174210010.db2.gz JLFJOJISBCQSOP-UHFFFAOYSA-N 1 2 272.392 4.121 10 0 CIAELO CC(C)c1[nH+]c2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409803 174254695 /nfs/dbraw/zinc/25/46/95/174254695.db2.gz WJEFGRAVRBDPME-UHFFFAOYSA-N 1 2 274.751 4.454 10 0 CIAELO Nc1ccc2cc(-c3ccccc3Cl)ccc2[nH+]1 ZINC000072142341 176323521 /nfs/dbraw/zinc/32/35/21/176323521.db2.gz CLWNPHZHMCTISO-UHFFFAOYSA-N 1 2 254.720 4.137 10 0 CIAELO CC(C)n1cc[nH+]c1CSc1ccccc1Cl ZINC000171677319 335074010 /nfs/dbraw/zinc/07/40/10/335074010.db2.gz XIZKXNUAUKALNL-UHFFFAOYSA-N 1 2 266.797 4.410 10 0 CIAELO c1coc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597590 329210217 /nfs/dbraw/zinc/21/02/17/329210217.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 2 293.370 4.007 10 0 CIAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3)[nH]2)c1 ZINC000179597590 329210219 /nfs/dbraw/zinc/21/02/19/329210219.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 2 293.370 4.007 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000230631241 329367789 /nfs/dbraw/zinc/36/77/89/329367789.db2.gz IESFKJJLRGTONC-RKDXNWHRSA-N 1 2 270.785 4.110 10 0 CIAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)s2)o1 ZINC000230631247 329367890 /nfs/dbraw/zinc/36/78/90/329367890.db2.gz IESFKJJLRGTONC-BDAKNGLRSA-N 1 2 270.785 4.110 10 0 CIAELO C[C@H]([NH2+]Cc1ccccn1)c1c(Cl)ccc(F)c1Cl ZINC000035790453 330251189 /nfs/dbraw/zinc/25/11/89/330251189.db2.gz RBXYYFYTDJBMCP-VIFPVBQESA-N 1 2 299.176 4.378 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2csc3ccccc23)o1 ZINC000220908790 333170555 /nfs/dbraw/zinc/17/05/55/333170555.db2.gz POKLVFNYTZRPMR-LLVKDONJSA-N 1 2 272.373 4.049 10 0 CIAELO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000220919980 333170955 /nfs/dbraw/zinc/17/09/55/333170955.db2.gz JGBVZAGKQPSRBI-ZJUUUORDSA-N 1 2 282.746 4.187 10 0 CIAELO CCn1cc[nH+]c1CSCc1ccc(F)c(Cl)c1 ZINC000190047536 333202658 /nfs/dbraw/zinc/20/26/58/333202658.db2.gz ZMFFSBHHVVLFRA-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO CCS[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226804359 333269867 /nfs/dbraw/zinc/26/98/67/333269867.db2.gz CLPUKKQFQKNSSJ-GHMZBOCLSA-N 1 2 290.354 4.187 10 0 CIAELO CCCC1CCC([NH2+]c2ccc(N)cc2F)CC1 ZINC000049542515 519899129 /nfs/dbraw/zinc/89/91/29/519899129.db2.gz QZKBMWGSMJCXOA-UHFFFAOYSA-N 1 2 250.361 4.179 10 0 CIAELO CC(C)[C@@H](C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211537 519792120 /nfs/dbraw/zinc/79/21/20/519792120.db2.gz GQWVVHDLDYENAB-CYBMUJFWSA-N 1 2 299.374 4.040 10 0 CIAELO CC(C)n1cc[nH+]c1CSc1ccc(F)c(F)c1 ZINC000107078539 520032851 /nfs/dbraw/zinc/03/28/51/520032851.db2.gz CMVNCYMSRCTFQX-UHFFFAOYSA-N 1 2 268.332 4.035 10 0 CIAELO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)c2ccc(C)o2)[nH]1 ZINC000088398897 521300353 /nfs/dbraw/zinc/30/03/53/521300353.db2.gz WYLXEZQMJWFSKO-NSHDSACASA-N 1 2 295.814 4.158 10 0 CIAELO CNc1cc(C)[nH+]c2c(Cl)ccc(Br)c12 ZINC000061692539 522564656 /nfs/dbraw/zinc/56/46/56/522564656.db2.gz XERJKVLEGYFWOE-UHFFFAOYSA-N 1 2 285.572 4.001 10 0 CIAELO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953238 527033193 /nfs/dbraw/zinc/03/31/93/527033193.db2.gz XIEVACMNDQDUAB-DTWKUNHWSA-N 1 2 282.359 4.142 10 0 CIAELO Cc1ccc(Oc2ccc(Br)cc2)c(C)[nH+]1 ZINC000396129125 567924787 /nfs/dbraw/zinc/92/47/87/567924787.db2.gz CGCADXIKCFQCOC-UHFFFAOYSA-N 1 2 278.149 4.253 10 0 CIAELO Oc1cccc(CNc2c[nH+]ccc2Oc2ccccc2)c1 ZINC000095828703 185028589 /nfs/dbraw/zinc/02/85/89/185028589.db2.gz DUFIHNJOERNNFQ-UHFFFAOYSA-N 1 2 292.338 4.192 10 0 CIAELO Cc1c(Cl)cccc1N1Cc2ccc(F)cc2C1=[NH2+] ZINC000104172441 185916514 /nfs/dbraw/zinc/91/65/14/185916514.db2.gz RLYFHSICTDCDKF-UHFFFAOYSA-N 1 2 274.726 4.133 10 0 CIAELO c1ccc2[nH+]c(Cc3ccc4ccccc4c3)[nH]c2c1 ZINC000005117559 170067528 /nfs/dbraw/zinc/06/75/28/170067528.db2.gz TXUQJAOFDMFKDK-UHFFFAOYSA-N 1 2 258.324 4.307 10 0 CIAELO [NH2+]=C1c2ccccc2CN1c1ccccc1C(F)(F)F ZINC000020000106 170965661 /nfs/dbraw/zinc/96/56/61/170965661.db2.gz ZBSHQTVGUXVFCD-UHFFFAOYSA-N 1 2 276.261 4.051 10 0 CIAELO COc1c(C)c[nH+]c(CNc2ccccc2C(C)C)c1C ZINC000020044570 170977242 /nfs/dbraw/zinc/97/72/42/170977242.db2.gz UJJMOIXEOXVWNX-UHFFFAOYSA-N 1 2 284.403 4.443 10 0 CIAELO Cc1ccc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)o1 ZINC000020592846 171262464 /nfs/dbraw/zinc/26/24/64/171262464.db2.gz UKUOQDQZOGMCMY-CQSZACIVSA-N 1 2 261.708 4.036 10 0 CIAELO [NH2+]=C1c2ccccc2CN1c1ccccc1SC(F)F ZINC000021060210 171296987 /nfs/dbraw/zinc/29/69/87/171296987.db2.gz BHAXJHXVBFBKKA-UHFFFAOYSA-N 1 2 290.338 4.347 10 0 CIAELO COc1cc(OC)c([NH2+][C@H]2CCCC[C@H]2C)cc1Cl ZINC000021806865 171327868 /nfs/dbraw/zinc/32/78/68/171327868.db2.gz BHDVLWAVJWOKTO-PWSUYJOCSA-N 1 2 283.799 4.348 10 0 CIAELO CC[C@H](C[C@@H](C)CC)[NH2+]c1ccc(OC)cc1OC ZINC000021811563 171329151 /nfs/dbraw/zinc/32/91/51/171329151.db2.gz ONLPUWNCZDTHPJ-QWHCGFSZSA-N 1 2 265.397 4.331 10 0 CIAELO CCOc1ccc([NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021814432 171331789 /nfs/dbraw/zinc/33/17/89/171331789.db2.gz NAEUAQVINPDCMF-AWEZNQCLSA-N 1 2 255.361 4.301 10 0 CIAELO Nc1ccc2[nH]c(-c3cc4c(s3)CCCCC4)[nH+]c2c1 ZINC000021819507 171334293 /nfs/dbraw/zinc/33/42/93/171334293.db2.gz XGYQCHBVBCQDEJ-UHFFFAOYSA-N 1 2 283.400 4.143 10 0 CIAELO Cc1cc2[nH+]cn(CCCc3ccccc3)c2cc1C ZINC000040224027 174207599 /nfs/dbraw/zinc/20/75/99/174207599.db2.gz AVJXCEZNXJLMKQ-UHFFFAOYSA-N 1 2 264.372 4.286 10 0 CIAELO CCc1ccc(OCCn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040224056 174208273 /nfs/dbraw/zinc/20/82/73/174208273.db2.gz MXIKVQVUHQHXHM-UHFFFAOYSA-N 1 2 294.398 4.295 10 0 CIAELO Fc1ccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)c(F)c1 ZINC000040379102 174250249 /nfs/dbraw/zinc/25/02/49/174250249.db2.gz YCZYKNPVSDMSBF-UHFFFAOYSA-N 1 2 279.677 4.238 10 0 CIAELO Fc1ccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)c(F)c1 ZINC000040379102 174250250 /nfs/dbraw/zinc/25/02/50/174250250.db2.gz YCZYKNPVSDMSBF-UHFFFAOYSA-N 1 2 279.677 4.238 10 0 CIAELO CCc1[nH+]c2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417281 174256142 /nfs/dbraw/zinc/25/61/42/174256142.db2.gz BJXNOIRCORFIBM-UHFFFAOYSA-N 1 2 256.271 4.198 10 0 CIAELO Cc1ccc(Nc2nc(NC3CCCC3)cc(C)[nH+]2)cc1 ZINC000045192446 175326710 /nfs/dbraw/zinc/32/67/10/175326710.db2.gz ZSNPWWYITFZAPE-UHFFFAOYSA-N 1 2 282.391 4.192 10 0 CIAELO Cc1cc(NC2CCCC2)nc(Nc2ccc(F)cc2)[nH+]1 ZINC000045211133 175329355 /nfs/dbraw/zinc/32/93/55/175329355.db2.gz XXVKTGYTIQQANH-UHFFFAOYSA-N 1 2 286.354 4.022 10 0 CIAELO Cc1cc[nH+]cc1Nc1nc2cc(Cl)ccc2s1 ZINC000071414093 176159167 /nfs/dbraw/zinc/15/91/67/176159167.db2.gz WTSWJNYHCWAGHV-UHFFFAOYSA-N 1 2 275.764 4.397 10 0 CIAELO CC(C)n1cc[nH+]c1CS[C@@H](C)c1ccccc1 ZINC000175275205 261218159 /nfs/dbraw/zinc/21/81/59/261218159.db2.gz PTPDYCFCRWGRFT-ZDUSSCGKSA-N 1 2 260.406 4.458 10 0 CIAELO Cc1ccc(F)cc1CSCc1[nH+]ccn1C(C)C ZINC000187506901 263260928 /nfs/dbraw/zinc/26/09/28/263260928.db2.gz OVHNIHUFZMVAEB-UHFFFAOYSA-N 1 2 278.396 4.345 10 0 CIAELO Cc1cccc(OCCSCc2[nH+]ccn2C(C)C)c1 ZINC000175272580 327664756 /nfs/dbraw/zinc/66/47/56/327664756.db2.gz NCECFYGYSBJWJG-UHFFFAOYSA-N 1 2 290.432 4.085 10 0 CIAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611489 329201412 /nfs/dbraw/zinc/20/14/12/329201412.db2.gz RYRVICAWRZLLBV-KDOFPFPSSA-N 1 2 278.355 4.115 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000220882374 329204765 /nfs/dbraw/zinc/20/47/65/329204765.db2.gz YAZJFOKQFOSJRX-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000180029711 329214458 /nfs/dbraw/zinc/21/44/58/329214458.db2.gz BWSUGEMSRPLMPE-OAHLLOKOSA-N 1 2 290.407 4.318 10 0 CIAELO Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000180029711 329214460 /nfs/dbraw/zinc/21/44/60/329214460.db2.gz BWSUGEMSRPLMPE-OAHLLOKOSA-N 1 2 290.407 4.318 10 0 CIAELO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2ncc(C)s2)o1 ZINC000180509086 329220122 /nfs/dbraw/zinc/22/01/22/329220122.db2.gz ZSRFYJDGOFQHHP-AWEZNQCLSA-N 1 2 290.432 4.334 10 0 CIAELO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2ncc(C)s2)o1 ZINC000180509086 329220124 /nfs/dbraw/zinc/22/01/24/329220124.db2.gz ZSRFYJDGOFQHHP-AWEZNQCLSA-N 1 2 290.432 4.334 10 0 CIAELO CC[C@H](c1ccccc1)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371452 330337194 /nfs/dbraw/zinc/33/71/94/330337194.db2.gz VZGXNGAKQGLOJS-QGZVFWFLSA-N 1 2 297.446 4.053 10 0 CIAELO CCn1cc[nH+]c1CSCc1ccc(F)cc1Cl ZINC000083631665 330358607 /nfs/dbraw/zinc/35/86/07/330358607.db2.gz QTFUTLDSEIHKQQ-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO CCn1cc[nH+]c1CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000194872741 331069374 /nfs/dbraw/zinc/06/93/74/331069374.db2.gz NLACWGHPKXPOLS-UHFFFAOYSA-N 1 2 289.382 4.086 10 0 CIAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(CC(C)C)cc2)o1 ZINC000227555822 333285437 /nfs/dbraw/zinc/28/54/37/333285437.db2.gz MHYUNSLBVRWPPM-CQSZACIVSA-N 1 2 272.392 4.032 10 0 CIAELO CCc1cnc([C@@H](C)Nc2ccc3ccccc3[nH+]2)s1 ZINC000134925388 334108595 /nfs/dbraw/zinc/10/85/95/334108595.db2.gz IIDKHVGACVQKOF-LLVKDONJSA-N 1 2 283.400 4.427 10 0 CIAELO Cc1ccccc1[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000079045964 334146328 /nfs/dbraw/zinc/14/63/28/334146328.db2.gz CHTUBSLANMDSNV-ZDUSSCGKSA-N 1 2 265.360 4.055 10 0 CIAELO CCCNc1[nH+]cccc1CSc1ccc(F)cc1 ZINC000052756014 520195745 /nfs/dbraw/zinc/19/57/45/520195745.db2.gz CZXFWXKLRSQNNZ-UHFFFAOYSA-N 1 2 276.380 4.335 10 0 CIAELO CCNc1[nH+]cccc1CSc1ccc(Cl)cc1 ZINC000052755878 520378601 /nfs/dbraw/zinc/37/86/01/520378601.db2.gz GESWOBOYDIROTC-UHFFFAOYSA-N 1 2 278.808 4.459 10 0 CIAELO CC[N@H+](Cc1ccco1)Cc1nc(Cl)ccc1Cl ZINC000061630557 521398070 /nfs/dbraw/zinc/39/80/70/521398070.db2.gz RMJCVWNONNTVAZ-UHFFFAOYSA-N 1 2 285.174 4.004 10 0 CIAELO CC[N@@H+](Cc1ccco1)Cc1nc(Cl)ccc1Cl ZINC000061630557 521398075 /nfs/dbraw/zinc/39/80/75/521398075.db2.gz RMJCVWNONNTVAZ-UHFFFAOYSA-N 1 2 285.174 4.004 10 0 CIAELO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000036953241 527066930 /nfs/dbraw/zinc/06/69/30/527066930.db2.gz XIEVACMNDQDUAB-BDAKNGLRSA-N 1 2 282.359 4.142 10 0 CIAELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998361 170393933 /nfs/dbraw/zinc/39/39/33/170393933.db2.gz PGPKWNITEFXMDR-SNVBAGLBSA-N 1 2 286.202 4.051 10 0 CIAELO C[C@@H]1CCCC[N@H+]1CC(=O)c1ccc(Cl)cc1Cl ZINC000009998361 170393934 /nfs/dbraw/zinc/39/39/34/170393934.db2.gz PGPKWNITEFXMDR-SNVBAGLBSA-N 1 2 286.202 4.051 10 0 CIAELO C[C@H]1CCCC[C@H]1[NH2+]c1ccc(N)c(C(F)(F)F)c1 ZINC000020383693 171174455 /nfs/dbraw/zinc/17/44/55/171174455.db2.gz ZXBNSUAQUSVAKO-TVQRCGJNSA-N 1 2 272.314 4.278 10 0 CIAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]c1ccc2c(c1)OCCO2 ZINC000020560651 171251932 /nfs/dbraw/zinc/25/19/32/171251932.db2.gz HMXQJNUACAYJEH-BMFZPTHFSA-N 1 2 289.419 4.331 10 0 CIAELO COc1cc(OC)c([NH2+][C@@H]2CCC[C@H](C)C2)cc1Cl ZINC000021790244 171323804 /nfs/dbraw/zinc/32/38/04/171323804.db2.gz FGSSMLDXVQUOFA-WDEREUQCSA-N 1 2 283.799 4.348 10 0 CIAELO COc1cc(OC)c([NH2+][C@@H]2CCC[C@@H](C)C2)cc1Cl ZINC000021790237 171323937 /nfs/dbraw/zinc/32/39/37/171323937.db2.gz FGSSMLDXVQUOFA-GHMZBOCLSA-N 1 2 283.799 4.348 10 0 CIAELO CC[C@@H](C)C[C@H](CC)[NH2+]c1ccc(OC)cc1OC ZINC000021811565 171329467 /nfs/dbraw/zinc/32/94/67/171329467.db2.gz ONLPUWNCZDTHPJ-OLZOCXBDSA-N 1 2 265.397 4.331 10 0 CIAELO Nc1[nH+]c2c(cccc2F)n1-c1cc(Cl)ccc1Cl ZINC000037421306 173198630 /nfs/dbraw/zinc/19/86/30/173198630.db2.gz XMDOEDSRNUWGSB-UHFFFAOYSA-N 1 2 296.132 4.054 10 0 CIAELO Nc1ccc2[nH]c(-c3ccccc3-c3ccccc3)[nH+]c2c1 ZINC000038304034 174138879 /nfs/dbraw/zinc/13/88/79/174138879.db2.gz RZABADNPHMYRHI-UHFFFAOYSA-N 1 2 285.350 4.479 10 0 CIAELO Cc1ccc(OCCn2c[nH+]c3cc(C)c(C)cc32)c(C)c1 ZINC000040224033 174207392 /nfs/dbraw/zinc/20/73/92/174207392.db2.gz WKYRPEBZYPAZKJ-UHFFFAOYSA-N 1 2 294.398 4.349 10 0 CIAELO CCCn1c2ccc(C(F)(F)F)cc2[nH+]c1CC ZINC000040417441 174255868 /nfs/dbraw/zinc/25/58/68/174255868.db2.gz CRQZVSLXOLPERE-UHFFFAOYSA-N 1 2 256.271 4.028 10 0 CIAELO Cc1cc([C@@H]2CCCN2c2cc(C)c3ccccc3[nH+]2)no1 ZINC000044725023 175237530 /nfs/dbraw/zinc/23/75/30/175237530.db2.gz JEKCQJZZPJSYTD-KRWDZBQOSA-N 1 2 293.370 4.181 10 0 CIAELO Cc1cc(NC2CCCC2)nc(Nc2ccccc2C)[nH+]1 ZINC000045191306 175326502 /nfs/dbraw/zinc/32/65/02/175326502.db2.gz DLLNFXFSICJNCQ-UHFFFAOYSA-N 1 2 282.391 4.192 10 0 CIAELO CC(C)(C)c1cc(Cn2cc[nH+]c2)cc(C(C)(C)C)c1O ZINC000045323923 175359537 /nfs/dbraw/zinc/35/95/37/175359537.db2.gz FEDKNPFKYFCOIB-UHFFFAOYSA-N 1 2 286.419 4.232 10 0 CIAELO Cc1cc(NC2CCCCC2)nc(Nc2ccccc2)[nH+]1 ZINC000045387318 175372697 /nfs/dbraw/zinc/37/26/97/175372697.db2.gz UOWADVCBOHRKMY-UHFFFAOYSA-N 1 2 282.391 4.273 10 0 CIAELO CC(C)n1cc[nH+]c1CSc1ccc2c(c1)CCC2 ZINC000171677949 335074032 /nfs/dbraw/zinc/07/40/32/335074032.db2.gz QLLYUNSXVWJHHR-UHFFFAOYSA-N 1 2 272.417 4.245 10 0 CIAELO CCn1cc[nH+]c1CSCc1csc(C(C)(C)C)n1 ZINC000175292148 261217255 /nfs/dbraw/zinc/21/72/55/261217255.db2.gz REDPKQQPRGNZLW-UHFFFAOYSA-N 1 2 295.477 4.090 10 0 CIAELO CCn1cc[nH+]c1CSCc1ccc(Cl)cc1F ZINC000187852004 263272430 /nfs/dbraw/zinc/27/24/30/263272430.db2.gz NNRXKIKIRPBYEY-UHFFFAOYSA-N 1 2 284.787 4.129 10 0 CIAELO CCn1cc[nH+]c1CNc1ccc(-c2ccccc2)cc1 ZINC000051922437 328636534 /nfs/dbraw/zinc/63/65/34/328636534.db2.gz UKZQVOCFEXULKM-UHFFFAOYSA-N 1 2 277.371 4.182 10 0 CIAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccn(C(C)C)n2)o1 ZINC000172870084 329139640 /nfs/dbraw/zinc/13/96/40/329139640.db2.gz DMXIBVXXLMDDRU-INIZCTEOSA-N 1 2 287.407 4.093 10 0 CIAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccn(C(C)C)n2)o1 ZINC000172870084 329139641 /nfs/dbraw/zinc/13/96/41/329139641.db2.gz DMXIBVXXLMDDRU-INIZCTEOSA-N 1 2 287.407 4.093 10 0 CIAELO Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000180029728 329214521 /nfs/dbraw/zinc/21/45/21/329214521.db2.gz BWSUGEMSRPLMPE-HNNXBMFYSA-N 1 2 290.407 4.318 10 0 CIAELO Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000180029728 329214522 /nfs/dbraw/zinc/21/45/22/329214522.db2.gz BWSUGEMSRPLMPE-HNNXBMFYSA-N 1 2 290.407 4.318 10 0 CIAELO Cc1cnc([C@H](C)[NH2+]Cc2cc(Cl)ccc2Cl)o1 ZINC000230647827 329367851 /nfs/dbraw/zinc/36/78/51/329367851.db2.gz BNHFTDCWZNGSTR-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO COc1cccc2c(N[C@H](C)c3cccc(O)c3)cc[nH+]c12 ZINC000189321711 329379868 /nfs/dbraw/zinc/37/98/68/329379868.db2.gz VSBYCESUHXYVGX-GFCCVEGCSA-N 1 2 294.354 4.122 10 0 CIAELO C[C@@H]([NH2+]Cc1ccccn1)c1c(Cl)ccc(F)c1Cl ZINC000035790458 330251343 /nfs/dbraw/zinc/25/13/43/330251343.db2.gz RBXYYFYTDJBMCP-SECBINFHSA-N 1 2 299.176 4.378 10 0 CIAELO Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000044296231 330327225 /nfs/dbraw/zinc/32/72/25/330327225.db2.gz DBVHDBZQOYXFSB-VIFPVBQESA-N 1 2 285.174 4.141 10 0 CIAELO Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000058888907 330394002 /nfs/dbraw/zinc/39/40/02/330394002.db2.gz AEBLXHZLUJQOHA-SECBINFHSA-N 1 2 295.707 4.253 10 0 CIAELO Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000058888907 330394003 /nfs/dbraw/zinc/39/40/03/330394003.db2.gz AEBLXHZLUJQOHA-SECBINFHSA-N 1 2 295.707 4.253 10 0 CIAELO CC(C)n1cc[nH+]c1CNc1cc(Cl)ccc1Cl ZINC000176958069 333051297 /nfs/dbraw/zinc/05/12/97/333051297.db2.gz XMBUMJORDCOKRP-UHFFFAOYSA-N 1 2 284.190 4.383 10 0 CIAELO Cc1cc(N2CCCC2)ccc1[NH2+][C@H]1CCC1(C)C ZINC000311667707 333071128 /nfs/dbraw/zinc/07/11/28/333071128.db2.gz XULLVFNZHJICAN-INIZCTEOSA-N 1 2 258.409 4.196 10 0 CIAELO CCS[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000226804373 333269974 /nfs/dbraw/zinc/26/99/74/333269974.db2.gz CLPUKKQFQKNSSJ-WDEREUQCSA-N 1 2 290.354 4.187 10 0 CIAELO CCS[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000230922474 333322694 /nfs/dbraw/zinc/32/26/94/333322694.db2.gz YFPWGQRICIHSLA-KBPBESRZSA-N 1 2 272.417 4.321 10 0 CIAELO CCNc1cc(CSc2ccccc2Cl)cc[nH+]1 ZINC000052756003 520272037 /nfs/dbraw/zinc/27/20/37/520272037.db2.gz XDMPWNAOMKDOEM-UHFFFAOYSA-N 1 2 278.808 4.459 10 0 CIAELO CCNc1ccc(COc2cccc(Cl)c2Cl)c[nH+]1 ZINC000050832567 520304591 /nfs/dbraw/zinc/30/45/91/520304591.db2.gz UZDOHHIDVCVMRA-UHFFFAOYSA-N 1 2 297.185 4.399 10 0 CIAELO CNc1cc(C(C)C)[nH+]c(-c2ccc(Cl)c(F)c2)n1 ZINC000050865319 522562670 /nfs/dbraw/zinc/56/26/70/522562670.db2.gz DYSSLPBGHGNRGT-UHFFFAOYSA-N 1 2 279.746 4.101 10 0 CIAELO CNc1cc(COc2cc(Cl)cc(Cl)c2)cc[nH+]1 ZINC000052755510 522567008 /nfs/dbraw/zinc/56/70/08/522567008.db2.gz GPSUTXRVILOTJU-UHFFFAOYSA-N 1 2 283.158 4.009 10 0 CIAELO CNc1ccc(CSc2ccc(C)c(C)c2)c[nH+]1 ZINC000050834252 522612166 /nfs/dbraw/zinc/61/21/66/522612166.db2.gz CYUIZPOCWVWYMB-UHFFFAOYSA-N 1 2 258.390 4.032 10 0 CIAELO CNc1ccc(CSc2ccccc2Cl)c[nH+]1 ZINC000050834045 522613335 /nfs/dbraw/zinc/61/33/35/522613335.db2.gz BJMWQZIIAQVEKX-UHFFFAOYSA-N 1 2 264.781 4.069 10 0 CIAELO C[C@@H](c1ccc(Cl)s1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601121 526047153 /nfs/dbraw/zinc/04/71/53/526047153.db2.gz GMCQDDOWJILDTL-GARJFASQSA-N 1 2 283.824 4.049 10 0 CIAELO C[C@@H](c1ccc(Cl)s1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601121 526047163 /nfs/dbraw/zinc/04/71/63/526047163.db2.gz GMCQDDOWJILDTL-GARJFASQSA-N 1 2 283.824 4.049 10 0 CIAELO Cc1csc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130983071 526342364 /nfs/dbraw/zinc/34/23/64/526342364.db2.gz RZWKIECNDBCLBE-CYBMUJFWSA-N 1 2 276.405 4.080 10 0 CIAELO Cc1csc(C[N@@H+]2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130983071 526342369 /nfs/dbraw/zinc/34/23/69/526342369.db2.gz RZWKIECNDBCLBE-CYBMUJFWSA-N 1 2 276.405 4.080 10 0 CIAELO Cc1[nH+]c[nH]c1CNc1c(Cl)cc(Cl)cc1Cl ZINC000054794455 527213395 /nfs/dbraw/zinc/21/33/95/527213395.db2.gz DBTQCHHONDPJID-UHFFFAOYSA-N 1 2 290.581 4.290 10 0 CIAELO Nc1ccc(-c2ccc(C3CCCCC3)cc2)c[nH+]1 ZINC000052886417 527463910 /nfs/dbraw/zinc/46/39/10/527463910.db2.gz CQJJKEQEILNLIK-UHFFFAOYSA-N 1 2 252.361 4.379 10 0 CIAELO Cc1cccn2cc(CSCC[Si](C)(C)C)[nH+]c12 ZINC000725245825 567908189 /nfs/dbraw/zinc/90/81/89/567908189.db2.gz MFCKIMIWXYMQRI-UHFFFAOYSA-N 1 2 278.497 4.214 10 0 CIAELO CNc1[nH+]cc(C2CCCCC2)cc1C(F)(F)F ZINC000584881471 567882789 /nfs/dbraw/zinc/88/27/89/567882789.db2.gz VWWMIYHWIUZDNH-UHFFFAOYSA-N 1 2 258.287 4.190 10 0 CIAELO