smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O/N=C1/[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H]2CC[C@H]1C2 ZINC000019362810 463018095 /nfs/dbraw/zinc/01/80/95/463018095.db2.gz RYIRYRJWGGJWLR-FVZCUCNDSA-N 1 2 343.427 2.162 40 30 EEEBLO O/N=C1/[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[C@@H]2CC[C@H]1C2 ZINC000019362810 463018100 /nfs/dbraw/zinc/01/81/00/463018100.db2.gz RYIRYRJWGGJWLR-FVZCUCNDSA-N 1 2 343.427 2.162 40 30 EEEBLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2C1 ZINC000095463661 463089890 /nfs/dbraw/zinc/08/98/90/463089890.db2.gz IGSYPVXHSDZZQY-UHFFFAOYSA-N 1 2 341.436 2.340 40 30 EEEBLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2C1 ZINC000095463661 463089895 /nfs/dbraw/zinc/08/98/95/463089895.db2.gz IGSYPVXHSDZZQY-UHFFFAOYSA-N 1 2 341.436 2.340 40 30 EEEBLO C=CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045637 463149825 /nfs/dbraw/zinc/14/98/25/463149825.db2.gz MHQDKEZHBKLGJQ-QGZVFWFLSA-N 1 2 339.443 2.385 40 30 EEEBLO C=CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045637 463149829 /nfs/dbraw/zinc/14/98/29/463149829.db2.gz MHQDKEZHBKLGJQ-QGZVFWFLSA-N 1 2 339.443 2.385 40 30 EEEBLO N#Cc1cccnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000073413864 463611125 /nfs/dbraw/zinc/61/11/25/463611125.db2.gz LGJJSIIULVCSIG-UHFFFAOYSA-N 1 2 344.422 2.461 40 30 EEEBLO N#CC(C#N)[C@H](c1ccccc1Cl)[C@H](C(N)=O)[n+]1ccccc1 ZINC000005866039 462671027 /nfs/dbraw/zinc/67/10/27/462671027.db2.gz DNAUHMJCMAGPSD-HZPDHXFCSA-O 1 2 325.779 2.101 40 30 EEEBLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1CN(C)CC[N@@H+]1C ZINC000096429467 463258895 /nfs/dbraw/zinc/25/88/95/463258895.db2.gz USPIFRNDQDKLHQ-HNNXBMFYSA-N 1 2 327.407 2.212 40 30 EEEBLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1CN(C)CC[N@H+]1C ZINC000096429467 463258899 /nfs/dbraw/zinc/25/88/99/463258899.db2.gz USPIFRNDQDKLHQ-HNNXBMFYSA-N 1 2 327.407 2.212 40 30 EEEBLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000097104385 463325648 /nfs/dbraw/zinc/32/56/48/463325648.db2.gz PWHHQCLSJMNHFV-QFBILLFUSA-N 1 2 335.492 2.134 40 30 EEEBLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 ZINC000252508832 464975166 /nfs/dbraw/zinc/97/51/66/464975166.db2.gz XVEBISRQOKXJIW-VNCLNFNDSA-N 1 2 341.455 2.142 40 30 EEEBLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 ZINC000252508832 464975171 /nfs/dbraw/zinc/97/51/71/464975171.db2.gz XVEBISRQOKXJIW-VNCLNFNDSA-N 1 2 341.455 2.142 40 30 EEEBLO CC(C)(C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)cc(C#N)c1 ZINC000375722759 167178592 /nfs/dbraw/zinc/17/85/92/167178592.db2.gz LVLKOOZNENIUET-OAHLLOKOSA-N 1 2 326.375 2.303 40 30 EEEBLO COCCNC(=S)N/[NH+]=C/c1ccc(N2CCCCC2)s1 ZINC000006299765 462681620 /nfs/dbraw/zinc/68/16/20/462681620.db2.gz FAXSCYRUDWOJGC-LFIBNONCSA-N 1 2 326.491 2.183 40 30 EEEBLO N#CCN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635157 303155652 /nfs/dbraw/zinc/15/56/52/303155652.db2.gz CZMQJGBTEPBKPD-FQEVSTJZSA-N 1 2 328.375 2.427 40 30 EEEBLO Cn1cc[nH+]c1CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000191728629 464825996 /nfs/dbraw/zinc/82/59/96/464825996.db2.gz AYQORLAPAXMKEC-UHFFFAOYSA-N 1 2 329.303 2.284 40 30 EEEBLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000054530631 132191758 /nfs/dbraw/zinc/19/17/58/132191758.db2.gz GIRWYJVQQUJBGA-UHFFFAOYSA-N 1 2 336.395 2.025 40 30 EEEBLO N#Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)c3cccs3)CC2)c1 ZINC000049031188 462950682 /nfs/dbraw/zinc/95/06/82/462950682.db2.gz ZLMXPWFSPXDGHK-MRXNPFEDSA-N 1 2 341.436 2.111 40 30 EEEBLO CC(C)c1nnc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000096420750 463251251 /nfs/dbraw/zinc/25/12/51/463251251.db2.gz QJDXDNJVGWDLAD-AWEZNQCLSA-N 1 2 329.404 2.417 40 30 EEEBLO CC(C)c1nnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000096420750 463251256 /nfs/dbraw/zinc/25/12/56/463251256.db2.gz QJDXDNJVGWDLAD-AWEZNQCLSA-N 1 2 329.404 2.417 40 30 EEEBLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000096410072 463243060 /nfs/dbraw/zinc/24/30/60/463243060.db2.gz FBUNMLOBOLRTPZ-GOSISDBHSA-N 1 2 337.427 2.178 40 30 EEEBLO COCc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000182230853 464605996 /nfs/dbraw/zinc/60/59/96/464605996.db2.gz HLWQMHHWNNYALS-UHFFFAOYSA-N 1 2 328.372 2.131 40 30 EEEBLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000096060503 463159794 /nfs/dbraw/zinc/15/97/94/463159794.db2.gz SMEABAFPJAXQLL-QGZVFWFLSA-N 1 2 328.416 2.126 40 30 EEEBLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000096060503 463159800 /nfs/dbraw/zinc/15/98/00/463159800.db2.gz SMEABAFPJAXQLL-QGZVFWFLSA-N 1 2 328.416 2.126 40 30 EEEBLO Cc1ccc(NC(=[NH2+])Nc2nc(C)cc(N3CCOCC3)n2)c(C)c1 ZINC000006195282 524912150 /nfs/dbraw/zinc/91/21/50/524912150.db2.gz CUMNGHWKPYZIGP-UHFFFAOYSA-N 1 2 340.431 2.297 40 30 EEEBLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091936910 218092133 /nfs/dbraw/zinc/09/21/33/218092133.db2.gz IJQJYAOBSNUEBB-AWEZNQCLSA-N 1 2 339.447 2.010 40 30 EEEBLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000091936910 218092134 /nfs/dbraw/zinc/09/21/34/218092134.db2.gz IJQJYAOBSNUEBB-AWEZNQCLSA-N 1 2 339.447 2.010 40 30 EEEBLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000080904935 463364665 /nfs/dbraw/zinc/36/46/65/463364665.db2.gz LGDLBWGAXMAKQR-KRWDZBQOSA-N 1 2 339.395 2.449 40 30 EEEBLO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000253419966 465007706 /nfs/dbraw/zinc/00/77/06/465007706.db2.gz PJZLYVYQZCUTDN-LJQANCHMSA-N 1 2 346.390 2.269 40 30 EEEBLO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000253419966 465007713 /nfs/dbraw/zinc/00/77/13/465007713.db2.gz PJZLYVYQZCUTDN-LJQANCHMSA-N 1 2 346.390 2.269 40 30 EEEBLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057711452 463511763 /nfs/dbraw/zinc/51/17/63/463511763.db2.gz AFZYQPIMVXHEMD-UHFFFAOYSA-N 1 2 327.350 2.130 40 30 EEEBLO Cn1cncc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000329669088 465402948 /nfs/dbraw/zinc/40/29/48/465402948.db2.gz MDNXQUVJVBOGTO-JKSUJKDBSA-N 1 2 348.834 2.450 40 30 EEEBLO Cn1cncc1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000329669088 465402953 /nfs/dbraw/zinc/40/29/53/465402953.db2.gz MDNXQUVJVBOGTO-JKSUJKDBSA-N 1 2 348.834 2.450 40 30 EEEBLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000015674488 462959792 /nfs/dbraw/zinc/95/97/92/462959792.db2.gz PQHHIISBDHRVRA-SJORKVTESA-N 1 2 347.378 2.311 40 30 biogenic,in-vitro EEEBLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000015674488 462959796 /nfs/dbraw/zinc/95/97/96/462959796.db2.gz PQHHIISBDHRVRA-SJORKVTESA-N 1 2 347.378 2.311 40 30 biogenic,in-vitro EEEBLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000096429459 463259589 /nfs/dbraw/zinc/25/95/89/463259589.db2.gz JPJMWPHMVZRYHS-UHFFFAOYSA-N 1 2 341.864 2.133 40 30 EEEBLO N#Cc1ccc(F)c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000096441682 463267554 /nfs/dbraw/zinc/26/75/54/463267554.db2.gz RACSIXJBTKOLKG-QGZVFWFLSA-N 1 2 345.418 2.301 40 30 EEEBLO N#Cc1ccc(F)c(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000096441682 463267557 /nfs/dbraw/zinc/26/75/57/463267557.db2.gz RACSIXJBTKOLKG-QGZVFWFLSA-N 1 2 345.418 2.301 40 30 EEEBLO CCOC(=O)c1cnn(Cc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000253426257 465010697 /nfs/dbraw/zinc/01/06/97/465010697.db2.gz ROLYJPOETPQYAD-UHFFFAOYSA-N 1 2 329.747 2.281 40 30 EEEBLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000332400089 267241881 /nfs/dbraw/zinc/24/18/81/267241881.db2.gz SEJPVMHYPRMCNS-ZDUSSCGKSA-N 1 2 336.374 2.070 40 30 EEEBLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000332400089 267241884 /nfs/dbraw/zinc/24/18/84/267241884.db2.gz SEJPVMHYPRMCNS-ZDUSSCGKSA-N 1 2 336.374 2.070 40 30 EEEBLO CC1(C)CC[C@@](CCC#N)(C2N3CC4(C)C[NH+]2CC(C)(C3)C4=O)CO1 ZINC000028444221 1352374764 /nfs/dbraw/zinc/37/47/64/1352374764.db2.gz WUANCVZHHKDISD-WYDVDPGPSA-N 1 2 345.487 2.418 40 30 EEEBLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21 ZINC000096081733 282384426 /nfs/dbraw/zinc/38/44/26/282384426.db2.gz WLNVPUBKFMKDQS-MOPGFXCFSA-N 1 2 338.411 2.253 40 30 EEEBLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21 ZINC000096081733 282384427 /nfs/dbraw/zinc/38/44/27/282384427.db2.gz WLNVPUBKFMKDQS-MOPGFXCFSA-N 1 2 338.411 2.253 40 30 EEEBLO COc1cc(NC(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000225235619 464154169 /nfs/dbraw/zinc/15/41/69/464154169.db2.gz DWRXYULASCHIEA-UHFFFAOYSA-N 1 2 347.331 2.074 40 30 EEEBLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncnc(N)c2Cl)CC1 ZINC000225485590 464164702 /nfs/dbraw/zinc/16/47/02/464164702.db2.gz XYJKNZCKKNZBHW-LBPRGKRZSA-N 1 2 342.834 2.467 40 30 EEEBLO CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000096410073 218763277 /nfs/dbraw/zinc/76/32/77/218763277.db2.gz FBUNMLOBOLRTPZ-SFHVURJKSA-N 1 2 337.427 2.178 40 30 EEEBLO N#Cc1cccc(C(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)c1 ZINC000049031185 462950819 /nfs/dbraw/zinc/95/08/19/462950819.db2.gz ZLMXPWFSPXDGHK-INIZCTEOSA-N 1 2 341.436 2.111 40 30 EEEBLO CCn1cc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813746 464725342 /nfs/dbraw/zinc/72/53/42/464725342.db2.gz VGDASCNOAVFYRR-SFHVURJKSA-N 1 2 326.400 2.227 40 30 EEEBLO CCn1cc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813746 464725352 /nfs/dbraw/zinc/72/53/52/464725352.db2.gz VGDASCNOAVFYRR-SFHVURJKSA-N 1 2 326.400 2.227 40 30 EEEBLO Cn1cncc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000329669087 465402189 /nfs/dbraw/zinc/40/21/89/465402189.db2.gz MDNXQUVJVBOGTO-HOTGVXAUSA-N 1 2 348.834 2.450 40 30 EEEBLO Cn1cncc1C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000329669087 465402192 /nfs/dbraw/zinc/40/21/92/465402192.db2.gz MDNXQUVJVBOGTO-HOTGVXAUSA-N 1 2 348.834 2.450 40 30 EEEBLO C=CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccsc2)C1 ZINC000096187855 463199511 /nfs/dbraw/zinc/19/95/11/463199511.db2.gz LYTNAVCMSXFYTH-HNNXBMFYSA-N 1 2 331.441 2.348 40 30 EEEBLO COCCN1CCN(C(=O)c2ccc(C#N)cc2)Cc2ccc[nH+]c21 ZINC000096198865 463204965 /nfs/dbraw/zinc/20/49/65/463204965.db2.gz ZKLWEDCGVUXZGW-UHFFFAOYSA-N 1 2 336.395 2.062 40 30 EEEBLO C=CCOC[C@H]1c2c([nH+]cn2C)CCN1Cc1cccnc1OC ZINC000096066780 463164534 /nfs/dbraw/zinc/16/45/34/463164534.db2.gz YWLNQMINKDOXGO-INIZCTEOSA-N 1 2 328.416 2.126 40 30 EEEBLO CC(N=NC(=S)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000005830988 518448881 /nfs/dbraw/zinc/44/88/81/518448881.db2.gz DMHZABFBJXEDGZ-ZHZULCJRSA-N 1 2 340.456 2.309 40 30 EEEBLO N#Cc1cccc(CN2Cc3[nH+]ccn3C[C@@H](CN3CCCC3=O)C2)c1 ZINC000096188425 463199845 /nfs/dbraw/zinc/19/98/45/463199845.db2.gz HUDNTDGNUOJTQE-SFHVURJKSA-N 1 2 349.438 2.009 40 30 EEEBLO N#Cc1cccc(C[N@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)c1 ZINC000096188425 463199849 /nfs/dbraw/zinc/19/98/49/463199849.db2.gz HUDNTDGNUOJTQE-SFHVURJKSA-N 1 2 349.438 2.009 40 30 EEEBLO N#Cc1cccc(C[N@@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)c1 ZINC000096188425 463199854 /nfs/dbraw/zinc/19/98/54/463199854.db2.gz HUDNTDGNUOJTQE-SFHVURJKSA-N 1 2 349.438 2.009 40 30 EEEBLO Cc1ccc2c(c1)[C@@]1(C)C=C(C[NH+]3CCN(C)CC3)C(=O)C[C@H]1O2 ZINC000019364746 292356005 /nfs/dbraw/zinc/35/60/05/292356005.db2.gz ZULLLCBLCVVHKZ-WOJBJXKFSA-N 1 2 326.440 2.160 40 30 EEEBLO C[C@@]1([N+](=O)[O-])C(=O)[C@@]2([NH+]3CCOCC3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000006442210 462687251 /nfs/dbraw/zinc/68/72/51/462687251.db2.gz ONQNHBXJKYZNBG-OGWHTMIXSA-N 1 2 344.411 2.259 40 30 EEEBLO C#CCOc1ccccc1C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000096489515 463285614 /nfs/dbraw/zinc/28/56/14/463285614.db2.gz WARRTMKNDKFJRM-UHFFFAOYSA-N 1 2 325.412 2.313 40 30 EEEBLO C#CCOc1ccccc1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096489515 463285619 /nfs/dbraw/zinc/28/56/19/463285619.db2.gz WARRTMKNDKFJRM-UHFFFAOYSA-N 1 2 325.412 2.313 40 30 EEEBLO N#CC(C#N)[C@@H](c1ccccc1Cl)[C@@H](C(N)=O)[n+]1ccccc1 ZINC000005866024 462671137 /nfs/dbraw/zinc/67/11/37/462671137.db2.gz DNAUHMJCMAGPSD-HOTGVXAUSA-O 1 2 325.779 2.101 40 30 EEEBLO CC(C)OC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000096448407 463271985 /nfs/dbraw/zinc/27/19/85/463271985.db2.gz YRYGDGOWOMJJNX-UHFFFAOYSA-N 1 2 336.457 2.221 40 30 EEEBLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000097104387 463325193 /nfs/dbraw/zinc/32/51/93/463325193.db2.gz PWHHQCLSJMNHFV-LPHOPBHVSA-N 1 2 335.492 2.134 40 30 EEEBLO C[C@@H](NC(=O)c1sccc1C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000085293247 287006226 /nfs/dbraw/zinc/00/62/26/287006226.db2.gz FYYXFFXFBXCAHX-CYBMUJFWSA-N 1 2 333.457 2.383 40 30 EEEBLO N#CC(C#N)[C@@H](c1ccccc1Cl)[C@H](C(N)=O)[n+]1ccccc1 ZINC000005866051 462671446 /nfs/dbraw/zinc/67/14/46/462671446.db2.gz DNAUHMJCMAGPSD-JKSUJKDBSA-O 1 2 325.779 2.101 40 30 EEEBLO O=C(NCC#CC[NH+]1CCOCC1)Nc1ccccc1C(F)(F)F ZINC000075164926 462689726 /nfs/dbraw/zinc/68/97/26/462689726.db2.gz SXJCOPBJBJAEOT-UHFFFAOYSA-N 1 2 341.333 2.163 40 30 EEEBLO N#Cc1ccc(OC2CN(C(=O)NCc3cn4ccccc4[nH+]3)C2)cc1 ZINC000097378079 463356745 /nfs/dbraw/zinc/35/67/45/463356745.db2.gz OGWOZEMOCLSEEW-UHFFFAOYSA-N 1 2 347.378 2.179 40 30 EEEBLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000189066362 464425714 /nfs/dbraw/zinc/42/57/14/464425714.db2.gz DXHSZKMNNUYJQA-CYBMUJFWSA-N 1 2 340.349 2.273 40 30 EEEBLO C#Cc1cccc(NC(=O)c2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096427110 463257092 /nfs/dbraw/zinc/25/70/92/463257092.db2.gz OMNDCTIHLRBWPT-UHFFFAOYSA-N 1 2 347.418 2.308 40 30 EEEBLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000332400084 267067020 /nfs/dbraw/zinc/06/70/20/267067020.db2.gz SEJPVMHYPRMCNS-CYBMUJFWSA-N 1 2 336.374 2.070 40 30 EEEBLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000332400084 267067026 /nfs/dbraw/zinc/06/70/26/267067026.db2.gz SEJPVMHYPRMCNS-CYBMUJFWSA-N 1 2 336.374 2.070 40 30 EEEBLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000088523707 462633732 /nfs/dbraw/zinc/63/37/32/462633732.db2.gz IYWLAIWTSQZHPW-HNNXBMFYSA-N 1 2 327.350 2.448 40 30 EEEBLO O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019367653 463017502 /nfs/dbraw/zinc/01/75/02/463017502.db2.gz RYIRYRJWGGJWLR-QUJDQHDRSA-N 1 2 343.427 2.162 40 30 EEEBLO O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019367653 463017509 /nfs/dbraw/zinc/01/75/09/463017509.db2.gz RYIRYRJWGGJWLR-QUJDQHDRSA-N 1 2 343.427 2.162 40 30 EEEBLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425378 465009908 /nfs/dbraw/zinc/00/99/08/465009908.db2.gz IVWVCKUIYLQSED-KDOFPFPSSA-N 1 2 327.428 2.379 40 30 EEEBLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425378 465009915 /nfs/dbraw/zinc/00/99/15/465009915.db2.gz IVWVCKUIYLQSED-KDOFPFPSSA-N 1 2 327.428 2.379 40 30 EEEBLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000096452420 237055828 /nfs/dbraw/zinc/05/58/28/237055828.db2.gz NDWCWIHYKNHJQQ-QGZVFWFLSA-N 1 2 342.418 2.346 40 30 EEEBLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000096452420 237055839 /nfs/dbraw/zinc/05/58/39/237055839.db2.gz NDWCWIHYKNHJQQ-QGZVFWFLSA-N 1 2 342.418 2.346 40 30 EEEBLO CC(C)[C@H](C(=O)NC[C@@H]1CCCCS1(=O)=O)[NH+]1CCCCC1 ZINC000329557498 465370768 /nfs/dbraw/zinc/37/07/68/465370768.db2.gz LFWNQHTWGMKDIR-LSDHHAIUSA-N 1 2 330.494 2.421 40 30 EEEBLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCCC#N)CC2)s1 ZINC000096415057 463248432 /nfs/dbraw/zinc/24/84/32/463248432.db2.gz LIKKJNBTLMYSKC-UHFFFAOYSA-N 1 2 341.502 2.062 40 30 EEEBLO CC(N=NC(=S)N1CCN(c2cccc[nH+]2)CC1)c1nccs1 ZINC000005503060 462661457 /nfs/dbraw/zinc/66/14/57/462661457.db2.gz YEZYPWUWHPJFLE-PDGQHHTCSA-N 1 2 346.485 2.370 40 30 EEEBLO C[C@H]1C[NH+]=C(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)S1 ZINC000096429709 279905262 /nfs/dbraw/zinc/90/52/62/279905262.db2.gz ZGLOYSSCKOTVAH-LBPRGKRZSA-N 1 2 327.457 2.055 40 30 EEEBLO CCn1cc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813761 464725603 /nfs/dbraw/zinc/72/56/03/464725603.db2.gz VGDASCNOAVFYRR-GOSISDBHSA-N 1 2 326.400 2.227 40 30 EEEBLO CCn1cc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000190813761 464725611 /nfs/dbraw/zinc/72/56/11/464725611.db2.gz VGDASCNOAVFYRR-GOSISDBHSA-N 1 2 326.400 2.227 40 30 EEEBLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000195578104 241024160 /nfs/dbraw/zinc/02/41/60/241024160.db2.gz GILXXRKIRBKCBX-HKUYNNGSSA-N 1 2 336.391 2.333 40 30 EEEBLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000195578104 241024164 /nfs/dbraw/zinc/02/41/64/241024164.db2.gz GILXXRKIRBKCBX-HKUYNNGSSA-N 1 2 336.391 2.333 40 30 EEEBLO N#Cc1cccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000097229744 463350902 /nfs/dbraw/zinc/35/09/02/463350902.db2.gz QZBATVNFBHBBAT-UHFFFAOYSA-N 1 2 344.422 2.461 40 30 EEEBLO CCNC(=S)N/[NH+]=C/c1cc(OC)c(N2CCCC2)cc1OC ZINC000107586097 463575254 /nfs/dbraw/zinc/57/52/54/463575254.db2.gz KJAALWYGHAIXSZ-WOJGMQOQSA-N 1 2 336.461 2.122 40 30 EEEBLO C[C@@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC[N@@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 ZINC000100986993 534479060 /nfs/dbraw/zinc/47/90/60/534479060.db2.gz NVGJHFALHAUOTL-KZKXBTMNSA-N 1 2 346.475 2.250 40 30 EEEBLO C[C@@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC[N@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 ZINC000100986993 534479066 /nfs/dbraw/zinc/47/90/66/534479066.db2.gz NVGJHFALHAUOTL-KZKXBTMNSA-N 1 2 346.475 2.250 40 30 EEEBLO Cc1c(C(=O)NCCn2cc[nH+]c2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100983289 219112713 /nfs/dbraw/zinc/11/27/13/219112713.db2.gz TUVAMOKYACHMPN-NDENLUEZSA-N 1 2 330.388 2.365 40 30 EEEBLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000078556740 217077362 /nfs/dbraw/zinc/07/73/62/217077362.db2.gz VKVLQAOEMFEXLO-UHFFFAOYSA-N 1 2 339.380 2.248 40 30 EEEBLO COC(=O)c1coc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000088524096 462634982 /nfs/dbraw/zinc/63/49/82/462634982.db2.gz LLWAJDOOZXWDSO-SFHVURJKSA-N 1 2 339.395 2.449 40 30 EEEBLO C=CC[NH+]1CCC(Nc2cc(C(C)=O)ccc2S(C)(=O)=O)CC1 ZINC000096501069 463291758 /nfs/dbraw/zinc/29/17/58/463291758.db2.gz LIGULIZBNSYFFW-UHFFFAOYSA-N 1 2 336.457 2.355 40 30 EEEBLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245338731 464470750 /nfs/dbraw/zinc/47/07/50/464470750.db2.gz OCDGCIHOZPWJIN-NUJGCVRESA-N 1 2 329.444 2.457 40 30 EEEBLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000245338731 464470753 /nfs/dbraw/zinc/47/07/53/464470753.db2.gz OCDGCIHOZPWJIN-NUJGCVRESA-N 1 2 329.444 2.457 40 30 EEEBLO Cc1ccc2c(c1)[C@]1(C)C=C(C[NH+]3CCN(C)CC3)C(=O)C[C@H]1O2 ZINC000019364743 463017534 /nfs/dbraw/zinc/01/75/34/463017534.db2.gz ZULLLCBLCVVHKZ-UXHICEINSA-N 1 2 326.440 2.160 40 30 EEEBLO CC(C)CNC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013556369 519547422 /nfs/dbraw/zinc/54/74/22/519547422.db2.gz PUUMVWAJYLBLNO-UHFFFAOYSA-N 1 2 335.473 2.475 40 30 EEEBLO C#CC[NH+]1CCN(C(=O)NCc2ccc(COC(C)C)cc2)CC1 ZINC000089890038 462735199 /nfs/dbraw/zinc/73/51/99/462735199.db2.gz AFJGJZXLZWSZKN-UHFFFAOYSA-N 1 2 329.444 2.072 40 30 EEEBLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)c1 ZINC000035425991 213027520 /nfs/dbraw/zinc/02/75/20/213027520.db2.gz LFLOBGSQVWGLRZ-HNNXBMFYSA-N 1 2 347.382 2.318 40 30 biogenic,in-vitro EEEBLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)c1 ZINC000035425991 213027524 /nfs/dbraw/zinc/02/75/24/213027524.db2.gz LFLOBGSQVWGLRZ-HNNXBMFYSA-N 1 2 347.382 2.318 40 30 biogenic,in-vitro EEEBLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccccc2F)CC1 ZINC000079869936 217259632 /nfs/dbraw/zinc/25/96/32/217259632.db2.gz XAMGIQGJVMMQQW-HNNXBMFYSA-N 1 2 330.403 2.202 40 30 EEEBLO CCNC(=S)N/[NH+]=C/c1ccc(N(C)C)c(Br)c1 ZINC000006387070 462684271 /nfs/dbraw/zinc/68/42/71/462684271.db2.gz YMSVDJBPMLPROU-OVCLIPMQSA-N 1 2 329.267 2.333 40 30 EEEBLO COCCn1nnnc1[C@@H](c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000057710792 463511446 /nfs/dbraw/zinc/51/14/46/463511446.db2.gz XPEOBSKJHMFQSK-QGZVFWFLSA-N 1 2 340.431 2.157 40 30 EEEBLO Cc1cnccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332554163 466545653 /nfs/dbraw/zinc/54/56/53/466545653.db2.gz RPJWWQCRCOPUQZ-UHFFFAOYSA-N 1 2 335.411 2.033 40 30 EEEBLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000096452419 237058021 /nfs/dbraw/zinc/05/80/21/237058021.db2.gz NDWCWIHYKNHJQQ-KRWDZBQOSA-N 1 2 342.418 2.346 40 30 EEEBLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000096452419 237058032 /nfs/dbraw/zinc/05/80/32/237058032.db2.gz NDWCWIHYKNHJQQ-KRWDZBQOSA-N 1 2 342.418 2.346 40 30 EEEBLO C#CCC[NH+]1CCN(C(=O)[C@H](C)CC(=O)c2ccccc2F)CC1 ZINC000079869938 217259488 /nfs/dbraw/zinc/25/94/88/217259488.db2.gz XAMGIQGJVMMQQW-OAHLLOKOSA-N 1 2 330.403 2.202 40 30 EEEBLO N#C[C@H](c1ccccc1)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000088523706 462634000 /nfs/dbraw/zinc/63/40/00/462634000.db2.gz IYWLAIWTSQZHPW-OAHLLOKOSA-N 1 2 327.350 2.448 40 30 EEEBLO N#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000080970577 463375662 /nfs/dbraw/zinc/37/56/62/463375662.db2.gz AXUJAMYZAIDYKU-UHFFFAOYSA-N 1 2 338.411 2.276 40 30 EEEBLO CC[N@H+](CC(=O)NCCC#N)Cc1ccc(Br)s1 ZINC000044889335 463698315 /nfs/dbraw/zinc/69/83/15/463698315.db2.gz OOZHMDAHIKMYDT-UHFFFAOYSA-N 1 2 330.251 2.362 40 30 EEEBLO CC[N@@H+](CC(=O)NCCC#N)Cc1ccc(Br)s1 ZINC000044889335 463698318 /nfs/dbraw/zinc/69/83/18/463698318.db2.gz OOZHMDAHIKMYDT-UHFFFAOYSA-N 1 2 330.251 2.362 40 30 EEEBLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)[nH+]c1C ZINC000154701246 462799496 /nfs/dbraw/zinc/79/94/96/462799496.db2.gz WCKXRTSCDSGOCL-UHFFFAOYSA-N 1 2 330.432 2.353 40 30 EEEBLO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)c1 ZINC000015674193 462959629 /nfs/dbraw/zinc/95/96/29/462959629.db2.gz UPYNVFZKRXUKGK-WBVHZDCISA-N 1 2 347.378 2.311 40 30 biogenic,in-vitro EEEBLO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)c1 ZINC000015674193 462959635 /nfs/dbraw/zinc/95/96/35/462959635.db2.gz UPYNVFZKRXUKGK-WBVHZDCISA-N 1 2 347.378 2.311 40 30 biogenic,in-vitro EEEBLO Cc1cccc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080164614 463289772 /nfs/dbraw/zinc/28/97/72/463289772.db2.gz ZPEDIFVFRKDMFF-UHFFFAOYSA-N 1 2 330.432 2.383 40 30 EEEBLO Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=[NH+]/NC(N)=S ZINC000003140860 462610909 /nfs/dbraw/zinc/61/09/09/462610909.db2.gz ZUKNGZJFZPKBNY-XDHOZWIPSA-N 1 2 342.472 2.338 40 30 EEEBLO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096229094 463222528 /nfs/dbraw/zinc/22/25/28/463222528.db2.gz GHSQJPPJHOESIN-HXUWFJFHSA-N 1 2 349.438 2.472 40 30 EEEBLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000189066384 464426101 /nfs/dbraw/zinc/42/61/01/464426101.db2.gz DXHSZKMNNUYJQA-ZDUSSCGKSA-N 1 2 340.349 2.273 40 30 EEEBLO N#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000253419964 465007148 /nfs/dbraw/zinc/00/71/48/465007148.db2.gz PJZLYVYQZCUTDN-IBGZPJMESA-N 1 2 346.390 2.269 40 30 EEEBLO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000253419964 465007154 /nfs/dbraw/zinc/00/71/54/465007154.db2.gz PJZLYVYQZCUTDN-IBGZPJMESA-N 1 2 346.390 2.269 40 30 EEEBLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 ZINC000096426508 463255918 /nfs/dbraw/zinc/25/59/18/463255918.db2.gz ZBXDCTTVNRKFSC-UHFFFAOYSA-N 1 2 345.418 2.201 40 30 EEEBLO C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020932866 518462830 /nfs/dbraw/zinc/46/28/30/518462830.db2.gz LBCSOFXWTOJBIC-RBYWHNRPSA-N 1 2 343.456 2.239 40 30 EEEBLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000097104389 463325471 /nfs/dbraw/zinc/32/54/71/463325471.db2.gz PWHHQCLSJMNHFV-VQIMIIECSA-N 1 2 335.492 2.134 40 30 EEEBLO C[C@H](NC(=O)c1sccc1C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000085293246 463644808 /nfs/dbraw/zinc/64/48/08/463644808.db2.gz FYYXFFXFBXCAHX-ZDUSSCGKSA-N 1 2 333.457 2.383 40 30 EEEBLO C[C@]1([N+](=O)[O-])C(=O)[C@@]2([NH+]3CCOCC3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000006482277 462687053 /nfs/dbraw/zinc/68/70/53/462687053.db2.gz ONQNHBXJKYZNBG-QFHJOOASSA-N 1 2 344.411 2.259 40 30 EEEBLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425385 465010580 /nfs/dbraw/zinc/01/05/80/465010580.db2.gz IVWVCKUIYLQSED-RDTXWAMCSA-N 1 2 327.428 2.379 40 30 EEEBLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425385 465010583 /nfs/dbraw/zinc/01/05/83/465010583.db2.gz IVWVCKUIYLQSED-RDTXWAMCSA-N 1 2 327.428 2.379 40 30 EEEBLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CCCC1 ZINC000053815084 463192104 /nfs/dbraw/zinc/19/21/04/463192104.db2.gz ZOBAGJWKPSCTBE-UHFFFAOYSA-N 1 2 325.412 2.434 40 30 EEEBLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CCCC1 ZINC000053815084 463192108 /nfs/dbraw/zinc/19/21/08/463192108.db2.gz ZOBAGJWKPSCTBE-UHFFFAOYSA-N 1 2 325.412 2.434 40 30 EEEBLO C#CC[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000079050270 217181663 /nfs/dbraw/zinc/18/16/63/217181663.db2.gz LQAYRURBPCJBMK-UHFFFAOYSA-N 1 2 342.830 2.132 40 30 EEEBLO O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cc[nH+]cc1 ZINC000408527646 466680083 /nfs/dbraw/zinc/68/00/83/466680083.db2.gz PDRMZEBRWYEYPL-CYBMUJFWSA-N 1 2 342.742 2.337 40 30 EEEBLO Cc1nc(-c2ccccc2)sc1CO[NH+]=C(N)CN1CCOCC1 ZINC000078640119 463136136 /nfs/dbraw/zinc/13/61/36/463136136.db2.gz QQPSYYYFDYKMMM-UHFFFAOYSA-N 1 2 346.456 2.240 40 30 EEEBLO C#CCOc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000188088590 464196169 /nfs/dbraw/zinc/19/61/69/464196169.db2.gz KWTKVRLCABYWJA-OAHLLOKOSA-N 1 2 336.395 2.494 40 30 EEEBLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)s1 ZINC000285775675 464692022 /nfs/dbraw/zinc/69/20/22/464692022.db2.gz DQNCHBYQTYJSJS-UHFFFAOYSA-N 1 2 344.415 2.420 40 30 EEEBLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000331238836 465992749 /nfs/dbraw/zinc/99/27/49/465992749.db2.gz VVJFATPIWWZAKT-UHFFFAOYSA-N 1 2 325.368 2.123 40 30 EEEBLO CN(C)c1c[nH+]ccc1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000585123582 539980473 /nfs/dbraw/zinc/98/04/73/539980473.db2.gz GIAKJRZUEOZTLO-UHFFFAOYSA-N 1 2 335.411 2.226 40 30 EEEBLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000096429466 463259004 /nfs/dbraw/zinc/25/90/04/463259004.db2.gz USPIFRNDQDKLHQ-OAHLLOKOSA-N 1 2 327.407 2.212 40 30 EEEBLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1CN(C)CC[N@H+]1C ZINC000096429466 463259007 /nfs/dbraw/zinc/25/90/07/463259007.db2.gz USPIFRNDQDKLHQ-OAHLLOKOSA-N 1 2 327.407 2.212 40 30 EEEBLO C#CCOc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000188088615 464196693 /nfs/dbraw/zinc/19/66/93/464196693.db2.gz KWTKVRLCABYWJA-HNNXBMFYSA-N 1 2 336.395 2.494 40 30 EEEBLO C=CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045636 463150268 /nfs/dbraw/zinc/15/02/68/463150268.db2.gz MHQDKEZHBKLGJQ-KRWDZBQOSA-N 1 2 339.443 2.385 40 30 EEEBLO C=CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nnn(CC3CC3)c21 ZINC000096045636 463150270 /nfs/dbraw/zinc/15/02/70/463150270.db2.gz MHQDKEZHBKLGJQ-KRWDZBQOSA-N 1 2 339.443 2.385 40 30 EEEBLO C[C@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC[N@@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 ZINC000100986995 533974306 /nfs/dbraw/zinc/97/43/06/533974306.db2.gz NVGJHFALHAUOTL-PFXRJHJYSA-N 1 2 346.475 2.250 40 30 EEEBLO C[C@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CC[N@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 ZINC000100986995 533974314 /nfs/dbraw/zinc/97/43/14/533974314.db2.gz NVGJHFALHAUOTL-PFXRJHJYSA-N 1 2 346.475 2.250 40 30 EEEBLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 ZINC000252508831 464975597 /nfs/dbraw/zinc/97/55/97/464975597.db2.gz XVEBISRQOKXJIW-MNNVXMFVSA-N 1 2 341.455 2.142 40 30 EEEBLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 ZINC000252508831 464975602 /nfs/dbraw/zinc/97/56/02/464975602.db2.gz XVEBISRQOKXJIW-MNNVXMFVSA-N 1 2 341.455 2.142 40 30 EEEBLO C=CCn1c(=O)[nH]nc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000096469724 527284438 /nfs/dbraw/zinc/28/44/38/527284438.db2.gz DGIATDLSKBADEI-UHFFFAOYSA-N 1 2 327.413 2.295 40 30 EEEBLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ncnc(N)c2Cl)CC1 ZINC000225485626 464165399 /nfs/dbraw/zinc/16/53/99/464165399.db2.gz XYJKNZCKKNZBHW-GFCCVEGCSA-N 1 2 342.834 2.467 40 30 EEEBLO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1nnc(C2CC2)s1 ZINC000019714136 463021015 /nfs/dbraw/zinc/02/10/15/463021015.db2.gz QNPURRHQDWLSEU-GFCCVEGCSA-N 1 2 332.433 2.365 40 30 EEEBLO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1nnc(C2CC2)s1 ZINC000019714136 463021019 /nfs/dbraw/zinc/02/10/19/463021019.db2.gz QNPURRHQDWLSEU-GFCCVEGCSA-N 1 2 332.433 2.365 40 30 EEEBLO C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020932859 518463077 /nfs/dbraw/zinc/46/30/77/518463077.db2.gz LBCSOFXWTOJBIC-UOEVCUDDSA-N 1 2 343.456 2.239 40 30 EEEBLO N#Cc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1Cl ZINC000299679740 257985934 /nfs/dbraw/zinc/98/59/34/257985934.db2.gz VEKVONDENZJPTB-UHFFFAOYSA-N 1 2 329.791 2.450 40 30 EEEBLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000097104391 463325362 /nfs/dbraw/zinc/32/53/62/463325362.db2.gz PWHHQCLSJMNHFV-APWZRJJASA-N 1 2 335.492 2.134 40 30 EEEBLO Cc1ccc(C(N)=[NH+]OCC(=O)NCCc2ccc(F)cc2)cc1F ZINC000054269406 539335822 /nfs/dbraw/zinc/33/58/22/539335822.db2.gz SWPJWHZYCLMNOJ-UHFFFAOYSA-N 1 2 347.365 2.269 40 30 EEEBLO C[N@@H+]1CCc2c(sc(/N=C\c3nc4ccccc4[nH]3)c2C(N)=O)C1 ZINC000051091484 290252804 /nfs/dbraw/zinc/25/28/04/290252804.db2.gz VRBGRBHWBBVTDH-UWVJOHFNSA-N 1 2 339.424 2.462 40 30 EEEBLO C[N@H+]1CCc2c(sc(/N=C\c3nc4ccccc4[nH]3)c2C(N)=O)C1 ZINC000051091484 290252805 /nfs/dbraw/zinc/25/28/05/290252805.db2.gz VRBGRBHWBBVTDH-UWVJOHFNSA-N 1 2 339.424 2.462 40 30 EEEBLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@H](COc4cccc(C#N)c4)[C@H]3C2)c[nH]1 ZINC000096216922 463215183 /nfs/dbraw/zinc/21/51/83/463215183.db2.gz VNGKGWSUWSRXLI-KFKAGJAMSA-N 1 2 338.411 2.116 40 30 EEEBLO Cc1nc(C[N@H+]2C[C@H]3OC[C@H](COc4cccc(C#N)c4)[C@H]3C2)c[nH]1 ZINC000096216922 463215188 /nfs/dbraw/zinc/21/51/88/463215188.db2.gz VNGKGWSUWSRXLI-KFKAGJAMSA-N 1 2 338.411 2.116 40 30 EEEBLO C=CCOc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1OC ZINC000044891428 463698564 /nfs/dbraw/zinc/69/85/64/463698564.db2.gz RGVRDGYBUMFVJL-UHFFFAOYSA-N 1 2 348.443 2.101 40 30 EEEBLO COC(=O)c1coc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000088524097 462634731 /nfs/dbraw/zinc/63/47/31/462634731.db2.gz LLWAJDOOZXWDSO-GOSISDBHSA-N 1 2 339.395 2.449 40 30 EEEBLO C=CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)NCc2ccccc2)C1 ZINC000096187859 463198423 /nfs/dbraw/zinc/19/84/23/463198423.db2.gz LBCVTIWLTRXDHB-KRWDZBQOSA-N 1 2 340.427 2.427 40 30 EEEBLO C=CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)C2(C)C ZINC000261363421 463793485 /nfs/dbraw/zinc/79/34/85/463793485.db2.gz HDIPOCYNASPXNM-UHFFFAOYSA-O 1 2 343.432 2.474 40 30 EEEBLO C#CCNC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000195575631 464080089 /nfs/dbraw/zinc/08/00/89/464080089.db2.gz SJYHHAALEPOPQW-UHFFFAOYSA-N 1 2 331.379 2.242 40 30 EEEBLO CCCN1CNC(Nc2nc(C)c3cccc(OCC)c3n2)=[NH+]C1 ZINC000020634388 212158854 /nfs/dbraw/zinc/15/88/54/212158854.db2.gz QICSSYIPLKCLSV-UHFFFAOYSA-N 1 2 328.420 2.144 40 30 EEEBLO N#Cc1cc(F)ccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000096429116 463259236 /nfs/dbraw/zinc/25/92/36/463259236.db2.gz ZSKSJIVBSXDLSL-GOSISDBHSA-N 1 2 338.386 2.046 40 30 EEEBLO N#Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccncc2)CCO3)n1 ZINC000096074798 463167553 /nfs/dbraw/zinc/16/75/53/463167553.db2.gz RNHCMBJPTLSXLF-HXUWFJFHSA-N 1 2 349.438 2.220 40 30 EEEBLO N#Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)n1 ZINC000096074798 463167557 /nfs/dbraw/zinc/16/75/57/463167557.db2.gz RNHCMBJPTLSXLF-HXUWFJFHSA-N 1 2 349.438 2.220 40 30 EEEBLO C=CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)NCc2ccccc2)C1 ZINC000096187858 463199401 /nfs/dbraw/zinc/19/94/01/463199401.db2.gz LBCVTIWLTRXDHB-QGZVFWFLSA-N 1 2 340.427 2.427 40 30 EEEBLO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cccc[nH+]4)C3)C2)n1 ZINC000096229095 463222538 /nfs/dbraw/zinc/22/25/38/463222538.db2.gz GHSQJPPJHOESIN-FQEVSTJZSA-N 1 2 349.438 2.472 40 30 EEEBLO Cc1cccc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)c1C#N ZINC000096499985 463290534 /nfs/dbraw/zinc/29/05/34/463290534.db2.gz VWPORQYWUFCCAA-UHFFFAOYSA-N 1 2 332.429 2.198 40 30 EEEBLO N#Cc1ccc(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)c(F)c1 ZINC000225477798 464163994 /nfs/dbraw/zinc/16/39/94/464163994.db2.gz NKDHURXVQIIGOJ-UHFFFAOYSA-N 1 2 332.770 2.050 40 30 EEEBLO N#Cc1ccc(N2CCN(c3[nH+]cnc(N)c3Cl)CC2)c(F)c1 ZINC000225477798 464163996 /nfs/dbraw/zinc/16/39/96/464163996.db2.gz NKDHURXVQIIGOJ-UHFFFAOYSA-N 1 2 332.770 2.050 40 30 EEEBLO CC(C)Sc1ccc(CC(=O)NCC#CC[NH+]2CCOCC2)cc1 ZINC000075164875 462690059 /nfs/dbraw/zinc/69/00/59/462690059.db2.gz BAPNBHUDOVJGON-UHFFFAOYSA-N 1 2 346.496 2.181 40 30 EEEBLO Cc1ccc2c(c1)[C@@]1(C)C=C(C[NH+]3CCN(C)CC3)C(=O)C[C@@H]1O2 ZINC000019364748 463017651 /nfs/dbraw/zinc/01/76/51/463017651.db2.gz ZULLLCBLCVVHKZ-VQTJNVASSA-N 1 2 326.440 2.160 40 30 EEEBLO C=CCOC[C@@H]1c2c([nH+]cn2C)CCN1Cc1cccnc1OC ZINC000096066781 463165050 /nfs/dbraw/zinc/16/50/50/463165050.db2.gz YWLNQMINKDOXGO-MRXNPFEDSA-N 1 2 328.416 2.126 40 30 EEEBLO C=CCCS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096500591 463290318 /nfs/dbraw/zinc/29/03/18/463290318.db2.gz KVNKUQKDJSEZJP-UHFFFAOYSA-N 1 2 345.468 2.390 40 30 EEEBLO N#CCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635161 303155594 /nfs/dbraw/zinc/15/55/94/303155594.db2.gz CZMQJGBTEPBKPD-HXUWFJFHSA-N 1 2 328.375 2.427 40 30 EEEBLO N#Cc1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccncc2)cc1 ZINC000096450100 463271961 /nfs/dbraw/zinc/27/19/61/463271961.db2.gz JRWZKPZMNCSPEH-UHFFFAOYSA-N 1 2 338.392 2.291 40 30 EEEBLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(F)c1 ZINC000096446399 237056637 /nfs/dbraw/zinc/05/66/37/237056637.db2.gz WGUNKTJFDYNBLR-UHFFFAOYSA-N 1 2 338.358 2.045 40 30 EEEBLO Cc1c([N+](=O)[O-])cc(C#N)cc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000096453283 463274437 /nfs/dbraw/zinc/27/44/37/463274437.db2.gz KVNKSNZSERLVNN-UHFFFAOYSA-N 1 2 337.383 2.492 40 30 EEEBLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000080904946 463364831 /nfs/dbraw/zinc/36/48/31/463364831.db2.gz LGDLBWGAXMAKQR-QGZVFWFLSA-N 1 2 339.395 2.449 40 30 EEEBLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000072896769 216325227 /nfs/dbraw/zinc/32/52/27/216325227.db2.gz OCDGCIHOZPWJIN-SOLBZPMBSA-N 1 2 329.444 2.457 40 30 EEEBLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000072896769 216325229 /nfs/dbraw/zinc/32/52/29/216325229.db2.gz OCDGCIHOZPWJIN-SOLBZPMBSA-N 1 2 329.444 2.457 40 30 EEEBLO 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/nfs/dbraw/zinc/16/45/05/463164505.db2.gz DANIIFLFWHOBRI-GOSISDBHSA-N 1 2 332.411 2.283 40 30 EEEBLO N#Cc1cccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c1 ZINC000096067048 463164509 /nfs/dbraw/zinc/16/45/09/463164509.db2.gz DANIIFLFWHOBRI-GOSISDBHSA-N 1 2 332.411 2.283 40 30 EEEBLO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000154656029 526517434 /nfs/dbraw/zinc/51/74/34/526517434.db2.gz YAEHFABSBSEGLR-UHFFFAOYSA-N 1 2 326.400 2.450 40 30 EEEBLO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1cccc(C#N)c1 ZINC000252507951 464973490 /nfs/dbraw/zinc/97/34/90/464973490.db2.gz WXYRMZUHWMJCRD-UHFFFAOYSA-N 1 2 325.416 2.453 40 30 EEEBLO CN1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCCC3)sc2C1 ZINC000408582664 466680945 /nfs/dbraw/zinc/68/09/45/466680945.db2.gz OQKOHSLAHYUXGP-UHFFFAOYSA-N 1 2 332.473 2.422 40 30 EEEBLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC000194410515 463856097 /nfs/dbraw/zinc/85/60/97/463856097.db2.gz UBZNDDMRTQVAPL-LLVKDONJSA-N 1 2 326.368 2.317 40 30 EEEBLO 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/nfs/dbraw/zinc/93/18/89/277931889.db2.gz ZGLOYSSCKOTVAH-GFCCVEGCSA-N 1 2 327.457 2.055 40 30 EEEBLO CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)CC1 ZINC000408581240 466681227 /nfs/dbraw/zinc/68/12/27/466681227.db2.gz HUSKZCUULLPSHG-UHFFFAOYSA-N 1 2 332.473 2.278 40 30 EEEBLO CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)CC1 ZINC000408581240 466681233 /nfs/dbraw/zinc/68/12/33/466681233.db2.gz HUSKZCUULLPSHG-UHFFFAOYSA-N 1 2 332.473 2.278 40 30 EEEBLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000195578106 241024429 /nfs/dbraw/zinc/02/44/29/241024429.db2.gz GILXXRKIRBKCBX-PKOBYXMFSA-N 1 2 336.391 2.333 40 30 EEEBLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000195578106 241024431 /nfs/dbraw/zinc/02/44/31/241024431.db2.gz GILXXRKIRBKCBX-PKOBYXMFSA-N 1 2 336.391 2.333 40 30 EEEBLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000096429465 463258964 /nfs/dbraw/zinc/25/89/64/463258964.db2.gz CCSYRSRWDWUZNA-CQSZACIVSA-N 1 2 329.835 2.418 40 30 EEEBLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000096429465 463258971 /nfs/dbraw/zinc/25/89/71/463258971.db2.gz CCSYRSRWDWUZNA-CQSZACIVSA-N 1 2 329.835 2.418 40 30 EEEBLO C#CCC[NH+]1CCN(C(=O)c2c(C)nc(C(C)C)nc2SC)CC1 ZINC000081624107 463472980 /nfs/dbraw/zinc/47/29/80/463472980.db2.gz GPECJQCHVMYEDF-UHFFFAOYSA-N 1 2 346.500 2.411 40 30 EEEBLO COCCn1nnnc1[C@H](c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000057710799 463512069 /nfs/dbraw/zinc/51/20/69/463512069.db2.gz XPEOBSKJHMFQSK-KRWDZBQOSA-N 1 2 340.431 2.157 40 30 EEEBLO N#Cc1cccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 ZINC000096067049 463164707 /nfs/dbraw/zinc/16/47/07/463164707.db2.gz DANIIFLFWHOBRI-SFHVURJKSA-N 1 2 332.411 2.283 40 30 EEEBLO N#Cc1cccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 ZINC000096067049 463164713 /nfs/dbraw/zinc/16/47/13/463164713.db2.gz DANIIFLFWHOBRI-SFHVURJKSA-N 1 2 332.411 2.283 40 30 EEEBLO C[C@]1([N+](=O)[O-])C(=O)[C@@]2([NH+]3CCOCC3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000039317990 463450603 /nfs/dbraw/zinc/45/06/03/463450603.db2.gz ONQNHBXJKYZNBG-RNIPGJKVSA-N 1 2 344.411 2.259 40 30 EEEBLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(F)ccc1F ZINC000080171819 257835252 /nfs/dbraw/zinc/83/52/52/257835252.db2.gz BIGUYMGJMNGDGK-UHFFFAOYSA-N 1 2 338.358 2.045 40 30 EEEBLO N#Cc1ccc2nc(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112288 463180135 /nfs/dbraw/zinc/18/01/35/463180135.db2.gz ANHAAGFWRVPBII-PBHICJAKSA-N 1 2 344.390 2.152 40 30 biogenic,in-vitro EEEBLO N#Cc1ccc2nc(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112288 463180141 /nfs/dbraw/zinc/18/01/41/463180141.db2.gz ANHAAGFWRVPBII-PBHICJAKSA-N 1 2 344.390 2.152 40 30 biogenic,in-vitro EEEBLO N#Cc1cc(F)ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000096429115 463259506 /nfs/dbraw/zinc/25/95/06/463259506.db2.gz ZSKSJIVBSXDLSL-SFHVURJKSA-N 1 2 338.386 2.046 40 30 EEEBLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425382 465010834 /nfs/dbraw/zinc/01/08/34/465010834.db2.gz IVWVCKUIYLQSED-KSSFIOAISA-N 1 2 327.428 2.379 40 30 EEEBLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000253425382 465010839 /nfs/dbraw/zinc/01/08/39/465010839.db2.gz IVWVCKUIYLQSED-KSSFIOAISA-N 1 2 327.428 2.379 40 30 EEEBLO C=CCOc1cc(C(=O)NCC[NH+]2CCOCC2)cc2occc21 ZINC000072240247 216079461 /nfs/dbraw/zinc/07/94/61/216079461.db2.gz NURHPDWHOWZPKV-UHFFFAOYSA-N 1 2 330.384 2.060 40 30 EEEBLO C=C(C)CN(CC)C(=O)c1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000096427135 463256807 /nfs/dbraw/zinc/25/68/07/463256807.db2.gz MBHZZUQXIYVGOG-UHFFFAOYSA-N 1 2 329.444 2.112 40 30 EEEBLO CC1(C)CC[C@](CCC#N)(C2N3CC4(C)C[NH+]2CC(C)(C3)C4=O)CO1 ZINC000028444224 1352374694 /nfs/dbraw/zinc/37/46/94/1352374694.db2.gz WUANCVZHHKDISD-GXVYMARFSA-N 1 2 345.487 2.418 40 30 EEEBLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1 ZINC000096446394 237055269 /nfs/dbraw/zinc/05/52/69/237055269.db2.gz XBPYFWMWGKOOFQ-UHFFFAOYSA-N 1 2 334.395 2.214 40 30 EEEBLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000286820373 267056190 /nfs/dbraw/zinc/05/61/90/267056190.db2.gz IUMUPTGYYYBHRJ-CQSZACIVSA-N 1 2 345.424 2.046 40 30 EEEBLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000286820373 267056191 /nfs/dbraw/zinc/05/61/91/267056191.db2.gz IUMUPTGYYYBHRJ-CQSZACIVSA-N 1 2 345.424 2.046 40 30 EEEBLO CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)[N@@H+](C)C2 ZINC000019118210 274189626 /nfs/dbraw/zinc/18/96/26/274189626.db2.gz VVNOOYSVJDNWQK-UHFFFAOYSA-N 1 2 332.473 2.278 40 30 EEEBLO CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)[N@H+](C)C2 ZINC000019118210 274189629 /nfs/dbraw/zinc/18/96/29/274189629.db2.gz VVNOOYSVJDNWQK-UHFFFAOYSA-N 1 2 332.473 2.278 40 30 EEEBLO Cn1cc[nH+]c1Cn1c(C#N)cc(N)c1Oc1ccc2c(c1)OCO2 ZINC000225886311 242071749 /nfs/dbraw/zinc/07/17/49/242071749.db2.gz DMVPLBYLZJWLEQ-UHFFFAOYSA-N 1 2 337.339 2.245 40 30 EEEBLO CC(C)c1nnc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000096420751 463252082 /nfs/dbraw/zinc/25/20/82/463252082.db2.gz QJDXDNJVGWDLAD-CQSZACIVSA-N 1 2 329.404 2.417 40 30 EEEBLO CC(C)c1nnc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000096420751 463252085 /nfs/dbraw/zinc/25/20/85/463252085.db2.gz QJDXDNJVGWDLAD-CQSZACIVSA-N 1 2 329.404 2.417 40 30 EEEBLO